| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: [(3S)-1-methyl-3-[(2R)-2-methylazepan-1-yl]pyrrolidin-3-yl]methanamine [(3S)-1-methyl-3-[(2R)-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 | 3.98 | -32.67 | 3 | 3 | 1 | 34 | 226.388 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 0.89 | -39.91 | 3 | 3 | 1 | 34 | 226.388 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 2.81 | -109.59 | 4 | 3 | 2 | 35 | 227.396 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.11 | 2.59 | -25.65 | 3 | 3 | 1 | 34 | 226.388 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | 3.65 | -109.7 | 4 | 3 | 2 | 35 | 227.396 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | 5.53 | -213.41 | 5 | 3 | 3 | 37 | 228.404 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
