| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-2-[[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(1R)-1-(2,4-dimethyl…
| 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) | 3.22 | 6.86 | -9.2 | 1 | 3 | 0 | 49 | 277.437 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 7.49 | -40.2 | 2 | 3 | 1 | 53 | 278.445 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
