In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | 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) | 1.27 | 7.48 | -33.74 | 3 | 2 | 1 | 30 | 245.39 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.27 | 7.77 | -121.25 | 4 | 2 | 2 | 32 | 246.398 | 2 | ↓ |