In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 30 | 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) | 2.15 | 8.69 | -11.38 | 0 | 6 | 0 | 54 | 417.435 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 10.96 | -60.74 | 1 | 6 | 1 | 55 | 418.443 | 4 | ↓ |