UCSF

ZINC20598128

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 36 No

Popular Name: N-[[(1S,4S,5R)-4-[4-(3,5-dimethylphenyl)-5-thioxo-tetrazol-1-yl]-7,8-dioxabicyclo[3.2.1]octan-2-ylid N-[[(1S,4S,5R)-4-[4-(3,5-dimethy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.68 10.35 -33.36 1 14 0 159 513.54 6 ↓
Lo Low (pH 4.5-6) 0.68 10.76 -54.71 2 14 1 160 514.548 6 ↓

Activity (Go SEA)

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