| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 16 | No |
Popular Name: (1S,2R)-2-[methyl-[(3S)-tetrahydrothiophen-3-yl]amino]cycloheptanecarbonitrile (1S,2R)-2-[methyl-[(3S)-tetrahyd…
| 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) | 3.05 | 7.8 | -44.58 | 1 | 2 | 1 | 28 | 239.408 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 5.91 | -6.81 | 0 | 2 | 0 | 27 | 238.4 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
