In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 28 | 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) | 6.45 | 11.58 | -7.56 | 1 | 3 | 0 | 45 | 404.457 | 4 | ↓ |
Mid Mid (pH 6-8) | 6.90 | 9.83 | -42.64 | 0 | 3 | -1 | 48 | 403.449 | 4 | ↓ |