| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 17 | Yes |
Popular Name: (1S)-1-(3-methyl-2-thienyl)-N-[(1R)-1-(4-pyridyl)ethyl]ethanamine (1S)-1-(3-methyl-2-thienyl)-N-[(…
| 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) | 3.00 | 6.35 | -4.07 | 1 | 2 | 0 | 25 | 246.379 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 7.28 | -39.57 | 2 | 2 | 1 | 29 | 247.387 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
