In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 27 | No |
Popular Name: 3-(3-chloro-4-fluoro-phenyl)-1-[(2-fluorophenyl)methyl]-1-(3-pyridylmethyl)thiourea 3-(3-chloro-4-fluoro-phenyl)-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) | 4.04 | 12.61 | -15.42 | 1 | 3 | 0 | 28 | 403.885 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.04 | 13.05 | -49.63 | 2 | 3 | 1 | 29 | 404.893 | 7 | ↓ |