In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 23 | 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) | 3.46 | 6.38 | -11.65 | 1 | 6 | 0 | 80 | 346.437 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.46 | 7.15 | -44.57 | 0 | 6 | -1 | 83 | 345.429 | 3 | ↓ |