| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: 3-[2-bromo-4-[(1S)-1-(methylamino)ethyl]phenyl]sulfanyl-4-isopropyl-1H-1,2,4-triazol-5-one 3-[2-bromo-4-[(1S)-1-(methylamin…
| 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) | 3.15 | 7.33 | -52.27 | 3 | 5 | 1 | 67 | 372.312 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 6.15 | -8.2 | 2 | 5 | 0 | 63 | 371.304 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
