| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 18 | Yes |
Popular Name: 2-[2-[methyl-[(1S)-1-(2-thienyl)ethyl]amino]ethyl]aniline 2-[2-[methyl-[(1S)-1-(2-thienyl)…
| 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) | 3.44 | 6.23 | -3.38 | 2 | 2 | 0 | 29 | 260.406 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 8.54 | -35.84 | 3 | 2 | 1 | 30 | 261.414 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
