| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: 2-(1,4-diazepan-1-yl)-1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]ethanone 2-(1,4-diazepan-1-yl)-1-[(3S)-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 | 5.31 | -84.44 | 3 | 5 | 2 | 41 | 284.448 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 3.17 | -34.5 | 2 | 5 | 1 | 40 | 283.44 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.16 | 4.58 | -83.26 | 3 | 5 | 2 | 45 | 284.448 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
