In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 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) | 1.85 | 7.8 | -17.46 | 0 | 10 | 0 | 103 | 465.51 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 8.12 | -48.44 | 1 | 10 | 1 | 104 | 466.518 | 7 | ↓ |