| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (1S,2R)-2-[[(1S)-1-(5-chloro-2-thienyl)ethyl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S)-1-(5-chloro-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) | 3.81 | 7.84 | -38.5 | 2 | 2 | 1 | 40 | 255.794 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 6.64 | -7.8 | 1 | 2 | 0 | 36 | 254.786 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
