| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 22 | Yes |
Popular Name: [4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-(1H-triazol-4-yl)methanone [4-(4-methoxyphenyl)-1,4-diazepa…
| 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) | 1.38 | 4.62 | -8.7 | 1 | 7 | 0 | 74 | 301.35 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 4.6 | -36.06 | 0 | 7 | -1 | 73 | 300.342 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.38 | 5.31 | -41.27 | 2 | 7 | 1 | 76 | 302.358 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
