| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 17 | Yes |
Popular Name: (3S)-3-[[(1R)-2-imidazol-1-yl-1-methyl-ethyl]amino]azepan-2-one (3S)-3-[[(1R)-2-imidazol-1-yl-1-…
| 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) | 0.11 | 4.65 | -48.42 | 3 | 5 | 1 | 64 | 237.327 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.11 | 3.68 | -12.71 | 2 | 5 | 0 | 59 | 236.319 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.11 | 5.17 | -107.99 | 4 | 5 | 2 | 65 | 238.335 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
