In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2009 | 28 | Yes |
Popular Name: (2-phenylsulfanyl-3-pyridyl)-[4-(4-pyridylmethyl)piperazin-1-yl]methanone (2-phenylsulfanyl-3-pyridyl)-[4-…
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) | 2.09 | 8.25 | -14.93 | 0 | 5 | 0 | 49 | 390.512 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 10.58 | -57.98 | 1 | 5 | 1 | 51 | 391.52 | 5 | ↓ |