| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 20 | Yes |
Popular Name: 1-(1,4-diazepan-1-yl)-2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]ethanone 1-(1,4-diazepan-1-yl)-2-[(3R)-3-…
| 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) | 0.16 | 5 | -88.93 | 3 | 5 | 2 | 45 | 284.448 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 1.51 | -7.69 | 1 | 5 | 0 | 39 | 282.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 2.95 | -44.97 | 2 | 5 | 1 | 43 | 283.44 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 7.26 | -179.89 | 4 | 5 | 3 | 46 | 285.456 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 5.14 | -95.81 | 3 | 5 | 2 | 45 | 284.448 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
