In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2006 | 30 | Yes |
None
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) | 5.09 | 8.78 | -10.66 | 2 | 6 | 0 | 78 | 405.498 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.09 | 9.55 | -51.12 | 1 | 6 | -1 | 81 | 404.49 | 8 | ↓ |