UCSF

ZINC60024324

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 42 No

Popular Name: (4R,6S,7Z)-7-benzylidene-3,4,6-triphenyl-2'-thioxo-spiro[4,6-dihydro-2H-indazole-5,5'-hexahydropyrim (4R,6S,7Z)-7-benzylidene-3,4,6-t…

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) 6.78 12.67 -40.68 2 6 -1 93 565.678 4 ↓
Lo Low (pH 4.5-6) 6.92 14.58 -9.86 3 6 0 87 566.686 4 ↓

Activity (Go SEA)

Rings

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

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