UCSF

ZINC63751318

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 31 No

Popular Name: (4aR)-N-(3,4-dimethoxyphenyl)-5-methyl-2,4-dioxo-3-phenyl-4aH-pyrrolo[3,2-d]pyrimidine-7-carboxamide (4aR)-N-(3,4-dimethoxyphenyl)-5-…

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) 1.47 5.88 -21.88 1 9 0 101 420.425 5 ↓
Hi High (pH 8-9.5) 1.65 3.62 -63.03 0 9 -1 107 419.417 5 ↓

Activity (Go SEA)

Rings

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

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