| 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) | 1.68 | 2.82 | -32.03 | 6 | 5 | 1 | 95 | 226.263 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 3.05 | -32.62 | 6 | 5 | 1 | 95 | 226.263 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 2.69 | -14.5 | 5 | 5 | 0 | 94 | 225.255 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 3.18 | -76.11 | 7 | 5 | 2 | 96 | 227.271 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
