| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: (1S)-1-[4-(benzotriazol-1-yl)-3-bromo-phenyl]-N-methyl-ethanamine (1S)-1-[4-(benzotriazol-1-yl)-3-…
| 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) | 3.70 | 7.61 | -55.87 | 2 | 4 | 1 | 47 | 332.225 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.70 | 6.43 | -9.72 | 1 | 4 | 0 | 43 | 331.217 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
