UCSF

ZINC67071872

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 26 No

Popular Name: (E)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-3-[4-(methanesulfonamido)phenyl]prop-2-ena (E)-N-[(4-isopropyl-5-sulfanyl-1…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

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) 0.75 4.66 -47.35 2 8 -1 111 394.502 7 ↓
Mid Mid (pH 6-8) 1.48 4.47 -86.16 1 8 -2 108 393.494 7 ↓
Lo Low (pH 4.5-6) 0.75 4.51 -21.25 3 8 0 109 395.51 7 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.