In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | No |
None
None
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) | 3.47 | 5.58 | -9.84 | 0 | 6 | 0 | 55 | 444.89 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.47 | 7.85 | -49.3 | 1 | 6 | 1 | 56 | 445.898 | 4 | ↓ |