In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 35 | 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) | 6.12 | 14.2 | -16.29 | 1 | 6 | 0 | 65 | 512.437 | 11 | ↓ |
Mid Mid (pH 6-8) | 6.12 | 14.69 | -43.63 | 2 | 6 | 1 | 67 | 513.445 | 11 | ↓ |