In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2006 | 30 | No |
Popular Name: 3-(3,5-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-(1-methyl-4-piperidyl)-thiourea 3-(3,5-dimethoxyphenyl)-1-[(4-me…
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) | 3.51 | 10.25 | -55.98 | 2 | 6 | 1 | 47 | 430.594 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 7.86 | -11.13 | 1 | 6 | 0 | 46 | 429.586 | 9 | ↓ |