| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (1S,2S)-2-[[(1R)-1-(5-methyl-2-thienyl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-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) | 3.23 | 7.85 | -45.97 | 2 | 2 | 1 | 40 | 235.376 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.23 | 6.65 | -7.49 | 1 | 2 | 0 | 36 | 234.368 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
