In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 31 | 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) | 4.07 | 14.12 | -33.73 | 2 | 7 | 1 | 66 | 419.553 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.07 | 13.82 | -11.68 | 1 | 7 | 0 | 65 | 418.545 | 4 | ↓ |