UCSF

ZINC63751367

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 29 No

Popular Name: (4aR)-N-(2-chlorophenyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-4aH-pyrrolo[3,2-d]pyrimidine-7-carbox (4aR)-N-(2-chlorophenyl)-3-(4-fl…

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) 2.62 7.38 -18.9 1 7 0 82 412.808 3 ↓
Mid Mid (pH 6-8) 2.80 5.08 -55.93 0 7 -1 88 411.8 3 ↓

Activity (Go SEA)

Rings

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

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