| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 16 | Yes |
Popular Name: 1,4-diazepan-1-yl-[(3R)-3-ethylpyrrolidin-3-yl]methanone 1,4-diazepan-1-yl-[(3R)-3-ethylp…
| 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) | 0.10 | 3.23 | -96.51 | 4 | 4 | 2 | 54 | 227.352 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | 1.88 | -44.33 | 3 | 4 | 1 | 49 | 226.344 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
