| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-2-[[(4R)-chroman-4-yl]amino]cycloheptanecarbonitrile (1S,2R)-2-[[(4R)-chroman-4-yl]am…
| 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) | 2.98 | 7.43 | -8.94 | 1 | 3 | 0 | 45 | 270.376 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | 8.12 | -44.56 | 2 | 3 | 1 | 50 | 271.384 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
