| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 19 | Yes |
Popular Name: (1S)-1-(4-bromo-2-thienyl)-N-ethyl-N-(m-tolyl)ethane-1,2-diamine (1S)-1-(4-bromo-2-thienyl)-N-eth…
| 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) | 3.86 | 7.95 | -46.5 | 3 | 2 | 1 | 31 | 340.31 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 7.59 | -2.3 | 2 | 2 | 0 | 29 | 339.302 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
