| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 17 | Yes |
Popular Name: (1S,2S)-2-[[(1R)-2-imidazol-1-yl-1-methyl-ethyl]amino]cycloheptanol (1S,2S)-2-[[(1R)-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) | 1.37 | 5.25 | -38.9 | 3 | 4 | 1 | 55 | 238.355 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 4.3 | -6.42 | 2 | 4 | 0 | 50 | 237.347 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 5.76 | -97.8 | 4 | 4 | 2 | 56 | 239.363 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
