In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2008 | 19 | 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) | 3.16 | 5.94 | -9.64 | 1 | 4 | 0 | 55 | 252.273 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.61 | 4.11 | -50.12 | 0 | 4 | -1 | 58 | 251.265 | 2 | ↓ |