In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 26th, 2006 | 25 | No |
Popular Name: 3-(4-bromophenyl)-1-(1-cyclohex-3-enylmethyl)-1-(3-pyridylmethyl)thiourea 3-(4-bromophenyl)-1-(1-cyclohex-…
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) | 4.37 | 12.94 | -11.11 | 1 | 3 | 0 | 28 | 416.388 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.37 | 13.09 | -52.54 | 2 | 3 | 1 | 29 | 417.396 | 7 | ↓ |