| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: [(3S)-1-methyl-3-[(2S)-2-methylazepan-1-yl]pyrrolidin-3-yl]methanamine [(3S)-1-methyl-3-[(2S)-2-methyla…
| 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) | 1.11 | 3.21 | -30.91 | 3 | 3 | 1 | 34 | 226.388 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 0.87 | -45.54 | 3 | 3 | 1 | 34 | 226.388 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 2.78 | -115.26 | 4 | 3 | 2 | 35 | 227.396 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 2.63 | -25.2 | 3 | 3 | 1 | 34 | 226.388 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | 3.49 | -111.44 | 4 | 3 | 2 | 35 | 227.396 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | 5.39 | -218.66 | 5 | 3 | 3 | 37 | 228.404 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
