In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2008 | 32 | 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) | 2.61 | 8.3 | -17.17 | 1 | 8 | 0 | 88 | 438.528 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.07 | 7.84 | -49.75 | 1 | 8 | 0 | 92 | 438.528 | 9 | ↓ |