| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (3S)-3-[(2-methyl-1H-imidazol-4-yl)methylamino]azepan-2-one (3S)-3-[(2-methyl-1H-imidazol-4-…
| 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) | -0.19 | 2.55 | -38.15 | 4 | 5 | 1 | 71 | 223.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | 2.1 | -12.3 | 3 | 5 | 0 | 70 | 222.292 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.19 | 2.41 | -46.24 | 4 | 5 | 1 | 74 | 223.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.19 | 2.89 | -108.26 | 5 | 5 | 2 | 76 | 224.308 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
