In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 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) | 2.84 | 10.33 | -27.91 | 1 | 9 | 0 | 104 | 474.612 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.02 | 8.78 | -63.52 | 0 | 9 | -1 | 110 | 473.604 | 11 | ↓ |