In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 14 | 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) | 2.77 | 6.02 | -8.05 | 2 | 2 | 0 | 39 | 204.298 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.77 | 6.31 | -29.29 | 3 | 2 | 1 | 40 | 205.306 | 1 | ↓ |