| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 17 | Yes |
Popular Name: N-[[(2S,3S)-1-methyl-2-(3-thienyl)azepan-3-yl]methyl]ethanamine N-[[(2S,3S)-1-methyl-2-(3-thieny…
| 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) | 2.60 | 5.42 | -35.45 | 2 | 2 | 1 | 20 | 253.435 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.60 | 7.63 | -99.31 | 3 | 2 | 2 | 21 | 254.443 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
