UCSF

ZINC66639550

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 18 No

Popular Name: (2S)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]tetrahydrofuran-2-carboxamide (2S)-N-[(4-isopropyl-5-sulfanyl-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.46 5 -14.73 2 6 0 72 270.358 4 ↓
Mid Mid (pH 6-8) 0.27 4.81 -44.31 1 6 -1 69 269.35 4 ↓

Activity (Go SEA)

Rings

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

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