In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 12 | 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) | 0.23 | 5.35 | -47.85 | 2 | 3 | 1 | 34 | 166.248 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.23 | 5.83 | -93.91 | 3 | 3 | 2 | 36 | 167.256 | 4 | ↓ |