In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 31 | No |
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) | 7.58 | 12.59 | -12.56 | 0 | 4 | 0 | 59 | 407.445 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.39 | 15.98 | -19.65 | 0 | 4 | 0 | 53 | 408.453 | 8 | ↓ |