| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: [(2R,3S)-2-(5-bromo-2-furyl)-1-methyl-azepan-3-yl]methanamine [(2R,3S)-2-(5-bromo-2-furyl)-1-m…
| 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) | 2.20 | 5.3 | -102.69 | 4 | 3 | 2 | 45 | 289.217 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 4.95 | -32.1 | 3 | 3 | 1 | 44 | 288.209 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 3.18 | -45.49 | 3 | 3 | 1 | 44 | 288.209 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
