| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 17 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)propanenitrile (2S)-2-cyclopropyl-2-(methylamin…
| 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) | 1.00 | 4.46 | -38.5 | 2 | 4 | 1 | 43 | 237.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 2.46 | -6.71 | 1 | 4 | 0 | 42 | 236.363 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 6.49 | -103.12 | 3 | 4 | 2 | 45 | 238.379 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 6.02 | -97.26 | 3 | 4 | 2 | 48 | 238.379 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
