In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 18 | No |
Popular Name: 3-bromo-5-[(2R)-2-isocyanatopyrrolidin-1-yl]sulfonyl-pyridine 3-bromo-5-[(2R)-2-isocyanatopyrr…
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) | 1.27 | 0.16 | -10.3 | 0 | 6 | 0 | 80 | 332.179 | 3 | ↓ |
Popular Name: 3-[(2S)-2-isocyanatopyrrolidin-1-yl]sulfonylpyridine 3-[(2S)-2-isocyanatopyrrolidin-1…
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) | 0.31 | -0.75 | -12.41 | 0 | 6 | 0 | 80 | 253.283 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.31 | 0.43 | -43.33 | 1 | 6 | 1 | 81 | 254.291 | 3 | ↓ |
Popular Name: 3-[(2R)-2-isocyanatopyrrolidin-1-yl]sulfonylpyridine 3-[(2R)-2-isocyanatopyrrolidin-1…
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) | 0.31 | -0.34 | -10.56 | 0 | 6 | 0 | 80 | 253.283 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.31 | 0.84 | -45.4 | 1 | 6 | 1 | 81 | 254.291 | 3 | ↓ |
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) | 0.82 | 1.26 | -10.12 | 0 | 6 | 0 | 80 | 267.31 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 2.36 | -42.08 | 1 | 6 | 1 | 81 | 268.318 | 3 | ↓ |
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) | 0.82 | 1.37 | -12.4 | 0 | 6 | 0 | 80 | 267.31 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 2.33 | -37.48 | 1 | 6 | 1 | 81 | 268.318 | 3 | ↓ |