| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 17 | Yes |
Popular Name: (1S,2S)-2-[[(1R)-1-(2,5-dimethyl-3-furyl)ethyl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(1R)-1-(2,5-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) | 2.50 | 7.39 | -47.01 | 2 | 3 | 1 | 54 | 233.335 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 6.35 | -8.94 | 1 | 3 | 0 | 49 | 232.327 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
