In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2008 | 31 | 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) | 4.35 | 9.51 | -37.95 | 0 | 6 | -1 | 79 | 463.337 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.77 | -0.55 | -22.31 | 0 | 6 | 0 | 73 | 464.345 | 9 | ↓ |