In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 28 | No |
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) | 3.90 | 10.68 | -23.03 | 1 | 5 | 0 | 66 | 427.576 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.36 | 9.63 | -52.12 | 0 | 5 | -1 | 69 | 426.568 | 6 | ↓ |