In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 26 | No |
Popular Name: 1-benzyl-3-(4-chloro-3-methyl-phenyl)-1-(3-pyridylmethyl)thiourea 1-benzyl-3-(4-chloro-3-methyl-ph…
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) | 4.21 | 0.11 | -11.3 | 1 | 3 | 0 | 28 | 381.932 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.21 | 0.22 | -46.48 | 2 | 3 | 1 | 29 | 382.94 | 7 | ↓ |