In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 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) | 1.11 | 5.22 | -121.17 | 4 | 2 | 2 | 32 | 180.295 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.11 | 3.2 | -45.92 | 3 | 2 | 1 | 31 | 179.287 | 4 | ↓ |