In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2011 | 36 | 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) | 6.90 | 11.27 | -44.56 | 1 | 7 | 1 | 68 | 505.579 | 3 | ↓ |
Mid Mid (pH 6-8) | 6.90 | 11.02 | -15.38 | 0 | 7 | 0 | 67 | 504.571 | 3 | ↓ |