In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 16 | 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) | 2.03 | 7.48 | -29.46 | 2 | 3 | 0 | 57 | 217.268 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.03 | 6.25 | -46.12 | 1 | 3 | -1 | 52 | 216.26 | 5 | ↓ |