In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 17 | 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) | 2.78 | 7.24 | -32.66 | 2 | 2 | 1 | 16 | 233.379 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.78 | 7.03 | -37.75 | 2 | 2 | 1 | 20 | 233.379 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.78 | 8.7 | -113.22 | 3 | 2 | 2 | 21 | 234.387 | 3 | ↓ |