| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 20 | Yes |
Popular Name: (1S)-N-[(2-isopropoxy-3-pyridyl)methyl]-1-(3-methyl-2-thienyl)ethanamine (1S)-N-[(2-isopropoxy-3-pyridyl)…
| 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) | 3.58 | 7.06 | -36.89 | 2 | 3 | 1 | 39 | 291.44 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 5.82 | -5.86 | 1 | 3 | 0 | 34 | 290.432 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
