In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 37 | 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) | 3.53 | 11.93 | -15.98 | 0 | 6 | 0 | 53 | 527.637 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.53 | 14.27 | -46.79 | 1 | 6 | 1 | 54 | 528.645 | 10 | ↓ |