In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 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) | 1.54 | 0.4 | -48.12 | 2 | 7 | -1 | 119 | 293.28 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 0.47 | -98.08 | 1 | 7 | -2 | 121 | 292.272 | 4 | ↓ |