In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2010 | 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) | 5.40 | 13.99 | -53.03 | 0 | 4 | -1 | 60 | 428.637 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.40 | 12.09 | -8.74 | 1 | 4 | 0 | 58 | 429.645 | 4 | ↓ |