In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2006 | 26 | No |
Popular Name: 3-(4-chlorophenyl)-1-[(2-fluorophenyl)methyl]-1-(3-pyridylmethyl)thiourea 3-(4-chlorophenyl)-1-[(2-fluorop…
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) | 3.95 | 12.71 | -14.56 | 1 | 3 | 0 | 28 | 385.895 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.95 | 13.18 | -54.69 | 2 | 3 | 1 | 29 | 386.903 | 7 | ↓ |