In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2009 | 30 | 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) | 5.83 | 15.58 | -40.35 | 1 | 2 | 1 | 8 | 399.602 | 8 | ↓ |
Hi High (pH 8-9.5) | 5.83 | 13.3 | -3.88 | 0 | 2 | 0 | 6 | 398.594 | 8 | ↓ |