| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: [4-(4-methylthiazol-2-yl)-1,4-diazepan-1-yl]-(1H-triazol-4-yl)methanone [4-(4-methylthiazol-2-yl)-1,4-di…
| 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) | 0.60 | 4.47 | -9.59 | 1 | 7 | 0 | 78 | 292.368 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 4.45 | -35.78 | 0 | 7 | -1 | 76 | 291.36 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.60 | 4.77 | -36.91 | 2 | 7 | 1 | 79 | 293.376 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
