In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2008 | 22 | No |
Popular Name: 3-(3-chloro-4-fluoro-phenyl)-1-[2-methyl-2-(1-piperidyl)propyl]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) | 3.87 | 9.95 | -47.47 | 3 | 3 | 1 | 28 | 344.907 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.87 | 8.05 | -10.81 | 2 | 3 | 0 | 27 | 343.899 | 6 | ↓ |