| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 19 | Yes |
Popular Name: N-[[(2S,3R)-2-(2,5-dimethyl-3-thienyl)-1-methyl-azepan-3-yl]methyl]ethanamine N-[[(2S,3R)-2-(2,5-dimethyl-3-th…
| 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) | 3.04 | 7.47 | -35.63 | 2 | 2 | 1 | 20 | 281.489 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 9.43 | -96.32 | 3 | 2 | 2 | 21 | 282.497 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
