In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 31 | 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) | 2.61 | 4.71 | -13.17 | 1 | 7 | 0 | 65 | 423.513 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.61 | 7.18 | -45.37 | 2 | 7 | 1 | 67 | 424.521 | 4 | ↓ |