In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2008 | 29 | No |
Popular Name: 3-(5-chloro-2-methyl-phenyl)-1-(3-pyridylmethyl)-1-(2,2,6,6-tetramethyl-4-piperidyl)thiourea 3-(5-chloro-2-methyl-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) | 4.60 | 11.95 | -55.86 | 3 | 4 | 1 | 45 | 432.057 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.60 | 12.24 | -95.33 | 4 | 4 | 2 | 46 | 433.065 | 6 | ↓ |