In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 25th, 2009 | 30 | No |
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) | 4.96 | 13.26 | -35.89 | 1 | 5 | 0 | 63 | 404.51 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.96 | 12.47 | -50.18 | 2 | 5 | 1 | 60 | 405.518 | 7 | ↓ |