| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-2-[[(1R)-1-(5-methyl-2-thienyl)ethyl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(1R)-1-(5-methyl-2-t…
| 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) | 4.24 | 8.81 | -40.14 | 2 | 2 | 1 | 40 | 263.43 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.24 | 7.94 | -8.47 | 1 | 2 | 0 | 36 | 262.422 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
