| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 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) | 4.08 | 6.21 | -5.21 | 0 | 3 | 0 | 38 | 279.777 | 1 | ↓ |
| Ref Reference (pH 7) | 4.08 | 5.9 | -4.78 | 0 | 3 | 0 | 38 | 279.777 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | 6.64 | -28.13 | 1 | 3 | 1 | 39 | 280.785 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | 6.33 | -27.38 | 1 | 3 | 1 | 39 | 280.785 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
