| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: (2S)-3-[cyclopentyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile (2S)-3-[cyclopentyl(methyl)amino…
| 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) | 2.24 | 7.07 | -36.57 | 2 | 3 | 1 | 40 | 222.356 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 4.61 | -3.48 | 1 | 3 | 0 | 39 | 221.348 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
