UCSF

ZINC67116491

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 25 No

Popular Name: (4S)-4-(4-chloro-3-fluoro-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (4S)-4-(4-chloro-3-fluoro-phenyl…

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) 4.25 9.07 -13.89 3 4 0 53 375.856 3 ↓
Hi High (pH 8-9.5) 4.05 8.48 -34.73 2 4 -1 59 374.848 3 ↓

Activity (Go SEA)

Rings

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

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