In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 30 | No |
Popular Name: 3-(2,4-dichlorophenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)thiourea 3-(2,4-dichlorophenyl)-1-[(4-dim…
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) | 4.33 | 16.37 | -48.61 | 2 | 5 | 1 | 38 | 463.458 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.33 | 15.86 | -17.65 | 1 | 5 | 0 | 36 | 462.45 | 10 | ↓ |
Lo Low (pH 4.5-6) | 4.33 | 17.13 | -94.15 | 3 | 5 | 0 | 39 | 464.466 | 10 | ↓ |