In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-2-[2-(1-methylimidazol-2-yl)ethylamino]cycloheptanecarbonitrile (1S,2R)-2-[2-(1-methylimidazol-2…
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) | 2.12 | 7.77 | -106.58 | 3 | 4 | 2 | 59 | 248.374 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 6.86 | -33.91 | 2 | 4 | 1 | 55 | 247.366 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 6.43 | -9.98 | 1 | 4 | 0 | 54 | 246.358 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 7.33 | -52.44 | 2 | 4 | 1 | 58 | 247.366 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.