In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 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) | 6.17 | 12.6 | -12.36 | 1 | 5 | 0 | 56 | 442.003 | 9 | ↓ |
Mid Mid (pH 6-8) | 6.17 | 13.11 | -36.4 | 2 | 5 | 1 | 57 | 443.011 | 9 | ↓ |