| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 23 | Yes |
Popular Name: N-(3-cyanophenyl)-4-(2-dimethylaminoethyl)-1,4-diazepane-1-carboxamide N-(3-cyanophenyl)-4-(2-dimethyla…
| 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) | 1.61 | 7.86 | -46.06 | 2 | 6 | 1 | 64 | 316.429 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 5.36 | -9.39 | 1 | 6 | 0 | 63 | 315.421 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.61 | 7.21 | -48.17 | 2 | 6 | 1 | 64 | 316.429 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.61 | 9.7 | -126.79 | 3 | 6 | 2 | 65 | 317.437 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
