In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 17 | 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) | 2.89 | 7.15 | -108.79 | 4 | 2 | 2 | 32 | 236.403 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 6.84 | -30.3 | 3 | 2 | 1 | 30 | 235.395 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 5.11 | -40.04 | 3 | 2 | 1 | 31 | 235.395 | 7 | ↓ |