| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 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) | 1.16 | 2.68 | -87.89 | 5 | 5 | 2 | 76 | 232.287 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 2.64 | -11.08 | 3 | 5 | 0 | 73 | 230.271 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 3.07 | -49.84 | 4 | 5 | 1 | 75 | 231.279 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 3.24 | -86.06 | 5 | 5 | 2 | 76 | 232.287 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
