In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 8th, 2006 | 29 | 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) | 4.46 | 9.17 | -50.04 | 0 | 5 | -1 | 69 | 404.515 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.00 | 11.06 | -15.2 | 1 | 5 | 0 | 66 | 405.523 | 5 | ↓ |