| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 17 | Yes |
Popular Name: (1R,2S)-2-[[1-(hydroxymethyl)cyclopentyl]amino]cycloheptanecarbonitrile (1R,2S)-2-[[1-(hydroxymethyl)cyc…
| 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) | 3.00 | 3.85 | -37.99 | 3 | 3 | 1 | 61 | 237.367 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 4.04 | -5.32 | 2 | 3 | 0 | 56 | 236.359 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
