| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 19 | Yes |
Popular Name: (2S)-N1-[(4-bromo-2-thienyl)methyl]-N1-methyl-2-phenyl-propane-1,2-diamine (2S)-N1-[(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) | 3.82 | 6.3 | -42.27 | 3 | 2 | 1 | 31 | 340.31 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.82 | 6.07 | -2.51 | 2 | 2 | 0 | 29 | 339.302 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.82 | 8.02 | -39.14 | 3 | 2 | 1 | 30 | 340.31 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
