In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2006 | 28 | Yes |
Popular Name: N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-isopropyl-4-methyl-benzamide N-[[1-[(2,4-dichlorophenyl)methy…
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) | 4.47 | 13.63 | -6.25 | 0 | 4 | 0 | 38 | 416.352 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.47 | 13.87 | -31.39 | 1 | 4 | 1 | 39 | 417.36 | 6 | ↓ |
Popular Name: N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide N-[[1-[(2,6-dichlorophenyl)methy…
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) | 5.05 | 11.26 | -10.86 | 1 | 4 | 0 | 47 | 410.304 | 5 | ↓ |
Popular Name: N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide N-[[1-[(2,4-dichlorophenyl)methy…
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 | 11.99 | -9.26 | 1 | 4 | 0 | 47 | 410.304 | 5 | ↓ |
Popular Name: BRD-A85496917-001-01-5 BRD-A85496917-001-01-5
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) | 5.63 | -0.82 | -8.83 | 1 | 4 | 0 | 46 | 424.331 | 5 | ↓ |
Popular Name: BRD-A85496917-001-01-5 BRD-A85496917-001-01-5
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) | 5.63 | -0.72 | -8.25 | 1 | 4 | 0 | 46 | 424.331 | 5 | ↓ |