| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | Yes |
Popular Name: 1-(1,4-diazepan-1-yl)-2-[(3R)-3-(dimethylamino)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) | -0.59 | 3.92 | -90.29 | 3 | 5 | 2 | 45 | 256.394 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.59 | 0.18 | -7.84 | 1 | 5 | 0 | 39 | 254.378 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.59 | 1.53 | -44.9 | 2 | 5 | 1 | 43 | 255.386 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.59 | 3.79 | -93.72 | 3 | 5 | 2 | 45 | 256.394 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
