In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 30 | 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) | 3.28 | 10.02 | -12.31 | 0 | 7 | 0 | 63 | 429.59 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 12.38 | -48.39 | 1 | 7 | 1 | 65 | 430.598 | 7 | ↓ |