In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 30 | No |
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) | 4.26 | 11.67 | -43.97 | 0 | 5 | -1 | 74 | 400.454 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.26 | 10.53 | -17.21 | 1 | 5 | 0 | 71 | 401.462 | 6 | ↓ |