| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 15 | Yes |
Popular Name: 1,4-diazepan-1-yl-[(3S)-3-methylpyrrolidin-3-yl]methanone 1,4-diazepan-1-yl-[(3S)-3-methyl…
| 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) | -0.24 | 2.76 | -90.83 | 4 | 4 | 2 | 54 | 213.325 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.24 | 1.45 | -42.05 | 3 | 4 | 1 | 49 | 212.317 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
