In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2007 | 26 | Yes |
Popular Name: N-(5-chloro-2-pyridyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide N-(5-chloro-2-pyridyl)-2-[[4-met…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.06 | 0.29 | -15.88 | 1 | 6 | 0 | 72 | 387.896 | 5 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 5.07 | 13.14 | -13.16 | 1 | 7 | 0 | 76 | 479.437 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.07 | 13.23 | -33.92 | 2 | 7 | 0 | 77 | 480.445 | 8 | ↓ |
Popular Name: (2S)-N-(5-chloro-2-pyridyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide (2S)-N-(5-chloro-2-pyridyl)-2-[(…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.61 | -0.03 | -16.1 | 1 | 6 | 0 | 72 | 373.869 | 5 | ↓ |
Popular Name: (2R)-N-(5-chloro-2-pyridyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide (2R)-N-(5-chloro-2-pyridyl)-2-[(…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.61 | -0.04 | -16.09 | 1 | 6 | 0 | 72 | 373.869 | 5 | ↓ |
Popular Name: N-(5-chloro-2-pyridyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide N-(5-chloro-2-pyridyl)-2-[[4-met…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.06 | 0.29 | -15.85 | 1 | 6 | 0 | 72 | 387.896 | 5 | ↓ |