| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (1S)-N'-[(4-bromo-2-thienyl)methyl]-N-ethyl-N'-methyl-1-phenyl-propane-1,3-diamine (1S)-N'-[(4-bromo-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) | 3.49 | 8.95 | -41.43 | 2 | 2 | 1 | 20 | 368.364 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 10.28 | -43.01 | 2 | 2 | 1 | 16 | 368.364 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 11.3 | -121.59 | 3 | 2 | 2 | 21 | 369.372 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
