In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2008 | 30 | Yes |
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) | 2.99 | 8.33 | -44.83 | 3 | 7 | 1 | 79 | 430.96 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.99 | 5.86 | -12.46 | 2 | 7 | 0 | 78 | 429.952 | 6 | ↓ |