In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2009 | 33 | 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) | 4.13 | 8.74 | -57.65 | 3 | 8 | 1 | 90 | 497.399 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.13 | 6.72 | -22.89 | 2 | 8 | 0 | 89 | 496.391 | 8 | ↓ |