| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 20 | Yes |
None
| 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) | 4.38 | 9.21 | -9.08 | 1 | 3 | 0 | 28 | 263.344 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.38 | 8.86 | -24.87 | 2 | 3 | 1 | 29 | 264.352 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.38 | 9.97 | -61.71 | 2 | 3 | 0 | 29 | 264.352 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.38 | 9.6 | -62.67 | 3 | 3 | 0 | 31 | 265.36 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
