| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (3S)-3-[[(1S)-1-methyl-2-(1-piperidyl)ethyl]amino]-3-phenyl-propanenitrile (3S)-3-[[(1S)-1-methyl-2-(1-pipe…
| 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) | 1.50 | 9.07 | -35.19 | 2 | 3 | 1 | 40 | 272.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.50 | 7.38 | -4.58 | 1 | 3 | 0 | 39 | 271.408 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
