In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 28 | 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) | 6.57 | 10.61 | -52.5 | 0 | 4 | -1 | 58 | 393.532 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.12 | 11.73 | -11.82 | 1 | 4 | 0 | 55 | 394.54 | 6 | ↓ |