In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 25 | 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) | 2.61 | 8.09 | -40.33 | 0 | 5 | -1 | 61 | 356.471 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 9.37 | -11.37 | 1 | 5 | 0 | 58 | 357.479 | 1 | ↓ |