In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 31st, 2011 | 15 | 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) | 0.76 | 3.66 | -9.13 | 0 | 3 | 0 | 24 | 224.329 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.76 | 5.91 | -42.32 | 1 | 3 | 1 | 25 | 225.337 | 2 | ↓ |