In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 33 | 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) | 0.94 | 8.17 | -21.54 | 0 | 9 | 0 | 82 | 452.559 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.94 | 10.53 | -55.6 | 1 | 9 | 1 | 83 | 453.567 | 5 | ↓ |