In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 34 | 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) | 4.34 | 14.62 | -17.11 | 0 | 6 | 0 | 57 | 459.59 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.34 | 15.16 | -43.37 | 1 | 6 | 1 | 58 | 460.598 | 10 | ↓ |