In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2008 | 20 | Yes |
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) | -2.04 | -6.95 | -56.59 | 6 | 9 | 1 | 134 | 285.28 | 2 | ↓ |
Mid Mid (pH 6-8) | -2.04 | -6.37 | -30.25 | 6 | 9 | 1 | 134 | 285.28 | 2 | ↓ |
Lo Low (pH 4.5-6) | -2.04 | -6.54 | -97.84 | 7 | 9 | 2 | 135 | 286.288 | 2 | ↓ |