In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 24 | 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) | 4.38 | 6.95 | -3.52 | 0 | 4 | 0 | 25 | 340.552 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.38 | 8.98 | -35.37 | 1 | 4 | 1 | 26 | 341.56 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.38 | 9.22 | -35.63 | 1 | 4 | 1 | 26 | 341.56 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.38 | 11.25 | -76.04 | 2 | 4 | 2 | 27 | 342.568 | 12 | ↓ |