In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 34 | 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) | 3.43 | 10.78 | -38.73 | 3 | 7 | 1 | 81 | 457.554 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.43 | 10.39 | -13.03 | 2 | 7 | 0 | 80 | 456.546 | 5 | ↓ |