| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (3S)-3-[(4-methyl-1H-imidazol-5-yl)methylamino]azepan-2-one (3S)-3-[(4-methyl-1H-imidazol-5-…
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) | -0.05 | 3.22 | -40.66 | 4 | 5 | 1 | 71 | 223.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.05 | 2.74 | -12.43 | 3 | 5 | 0 | 70 | 222.292 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.05 | 3.09 | -40.37 | 4 | 5 | 1 | 74 | 223.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.05 | 3.49 | -107.88 | 5 | 5 | 2 | 76 | 224.308 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
