In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2009 | 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) | 2.78 | 7.28 | -8.66 | 0 | 3 | 0 | 30 | 269.344 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 9.61 | -47.66 | 1 | 3 | 1 | 31 | 270.352 | 4 | ↓ |