| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 18 | No |
Popular Name: (1S,2R,4S)-2-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]-4-propyl-cyclohexanecarbonitrile (1S,2R,4S)-2-[methyl-[(3R)-tetra…
| 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) | 3.79 | 9.24 | -44.6 | 1 | 2 | 1 | 28 | 267.462 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.79 | 7.61 | -7.22 | 0 | 2 | 0 | 27 | 266.454 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
