| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 16 | Yes |
Popular Name: (1S)-N-[(5-chloro-2-thienyl)methyl]-1-(3-pyridyl)ethanamine (1S)-N-[(5-chloro-2-thienyl)meth…
| 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) | 2.92 | 6.94 | -47.48 | 2 | 2 | 1 | 29 | 253.778 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 5.67 | -4.59 | 1 | 2 | 0 | 25 | 252.77 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
