In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 37 | No |
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) | 1.80 | 2.87 | -20.8 | 4 | 9 | 0 | 142 | 507.539 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 0.19 | -68.82 | 3 | 9 | -1 | 149 | 506.531 | 9 | ↓ |