UCSF

ZINC13684140

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 No

Popular Name: N-benzyl-N'-[(3,3-dimethyl-5-oxo-cyclohexylidene)amino]-1-sulfanyl-formamidine N-benzyl-N'-[(3,3-dimethyl-5-oxo…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.60 8.77 -14.69 2 4 0 53 303.431 5 ↓
Ref Reference (pH 7) 2.60 8.76 -13.09 2 4 0 53 303.431 5 ↓

Activity (Go SEA)

Rings

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

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