| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-2-[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(1S)-2-imidazol-1-yl…
| 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) | 2.17 | 8.6 | -42.71 | 2 | 4 | 1 | 58 | 247.366 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 7.92 | -8.23 | 1 | 4 | 0 | 54 | 246.358 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 8.43 | -37.7 | 2 | 4 | 1 | 55 | 247.366 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 9.12 | -101.15 | 3 | 4 | 2 | 59 | 248.374 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
