In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 35 | 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) | 1.55 | 8.57 | -73.2 | 1 | 9 | 0 | 105 | 501.605 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.55 | 7.69 | -54.75 | 2 | 9 | 1 | 103 | 502.613 | 9 | ↓ |