| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: 3-[4-[(1S)-1-aminoethyl]-2-chloro-phenyl]sulfanyl-4-isopropyl-1H-1,2,4-triazol-5-one 3-[4-[(1S)-1-aminoethyl]-2-chlor…
| 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) | 0.76 | 5.49 | -56.96 | 4 | 5 | 1 | 78 | 313.834 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 5.16 | -9.47 | 3 | 5 | 0 | 77 | 312.826 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
