In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2010 | 14 | 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) | -0.59 | 1.8 | -6.51 | 3 | 3 | 0 | 55 | 190.246 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.59 | 1.78 | -5.01 | 3 | 3 | 0 | 55 | 190.246 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.59 | 2.11 | -44.34 | 4 | 3 | 1 | 57 | 191.254 | 1 | ↓ |