In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 17th, 2005 | 25 | 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) | 4.31 | -0.72 | -14.33 | 1 | 4 | 0 | 46 | 335.451 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.90 | -0.56 | -36.98 | 2 | 4 | 1 | 48 | 336.459 | 8 | ↓ |