| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2012 | 24 | Yes |
Popular Name: (2S)-1-(azepan-1-yl)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]propan-1-one (2S)-1-(azepan-1-yl)-2-[3-(1H-be…
None
| 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) | 2.49 | 9.42 | -45.1 | 2 | 5 | 1 | 53 | 327.452 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.49 | 6.21 | -12.18 | 1 | 5 | 0 | 52 | 326.444 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 9.83 | -105.13 | 3 | 5 | 2 | 55 | 328.46 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.