| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 13 | 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) | 1.46 | 4.15 | -34.76 | 3 | 3 | 1 | 45 | 180.275 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 3.2 | -26.75 | 3 | 3 | 1 | 42 | 180.275 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 2.48 | -5.14 | 2 | 3 | 0 | 41 | 179.267 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 3.19 | -26.6 | 3 | 3 | 1 | 42 | 180.275 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 2.46 | -4.46 | 2 | 3 | 0 | 41 | 179.267 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 4.54 | -100.1 | 4 | 3 | 2 | 47 | 181.283 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.46 | 4.57 | -100.32 | 4 | 3 | 2 | 47 | 181.283 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
