In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 34 | 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) | 3.97 | 10.05 | -60.36 | 0 | 7 | -1 | 92 | 460.506 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.97 | 9.23 | -17.36 | 1 | 7 | 0 | 89 | 461.514 | 10 | ↓ |