| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-2-[[(2S)-tetralin-2-yl]amino]cycloheptanecarbonitrile (1S,2S)-2-[[(2S)-tetralin-2-yl]a…
| 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) | 4.46 | 9.93 | -42.19 | 2 | 2 | 1 | 40 | 269.412 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.46 | 9.2 | -6.3 | 1 | 2 | 0 | 36 | 268.404 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
