In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 12 | 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) | 2.31 | 4.82 | -3.8 | 1 | 1 | 0 | 12 | 179.65 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 6.25 | -43.31 | 2 | 1 | 1 | 17 | 180.658 | 3 | ↓ |