| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 17 | Yes |
Popular Name: (1S)-1-[3-bromo-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(1,3,4-thiadia…
| 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) | 3.64 | 6.26 | -43.71 | 2 | 3 | 1 | 42 | 331.284 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 5.08 | -6 | 1 | 3 | 0 | 38 | 330.276 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
