| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 18 | Yes |
Popular Name: (1S)-1-[3-bromo-4-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-[(5-methyl-4H-…
| 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) | 2.79 | 6.75 | -46.93 | 3 | 4 | 1 | 58 | 328.259 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 6.55 | -67.66 | 2 | 4 | 0 | 56 | 327.251 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 5.57 | -6.62 | 2 | 4 | 0 | 54 | 327.251 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
