In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2010 | 31 | 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) | 3.23 | 8.82 | -17.07 | 1 | 7 | 0 | 83 | 416.529 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 9.15 | -35.42 | 2 | 7 | 1 | 84 | 417.537 | 6 | ↓ |