| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 17 | Yes |
Popular Name: [(2R,3S)-1-propyl-2-(3-thienyl)azepan-3-yl]methanamine [(2R,3S)-1-propyl-2-(3-thienyl)a…
| 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) | 2.47 | 6.63 | -101.95 | 4 | 2 | 2 | 32 | 254.443 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 4.69 | -41.56 | 3 | 2 | 1 | 31 | 253.435 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
