In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 13 | 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) | 0.93 | 8.2 | -90.96 | 2 | 3 | 2 | 24 | 181.283 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 4.57 | -7.08 | 0 | 3 | 0 | 21 | 179.267 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.93 | 7.69 | -42.05 | 1 | 3 | 1 | 22 | 180.275 | 3 | ↓ |