UCSF

ZINC62038732

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 31 No

Popular Name: (2R)-N-(5-formyl-2-hydroxy-phenyl)-2-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propan (2R)-N-(5-formyl-2-hydroxy-pheny…

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) 4.80 6.58 -19.56 3 7 0 112 451.529 6 ↓
Hi High (pH 8-9.5) 5.26 5.12 -49.36 2 7 -1 115 450.521 6 ↓
Hi High (pH 8-9.5) 5.26 5.88 -94.83 1 7 -2 118 449.513 6 ↓

Activity (Go SEA)

Rings

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

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