In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 34 | 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) | 5.58 | 11.88 | -15.56 | 1 | 5 | 0 | 72 | 458.602 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.16 | 13.45 | -47.68 | 1 | 5 | -1 | 78 | 457.594 | 8 | ↓ |