UCSF

ZINC62038772

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 32 No

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

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) 5.19 7.08 -20.37 3 7 0 112 485.612 7 ↓
Hi High (pH 8-9.5) 5.64 5.72 -48.61 2 7 -1 115 484.604 7 ↓
Hi High (pH 8-9.5) 5.64 6.49 -94.52 1 7 -2 118 483.596 7 ↓

Activity (Go SEA)

Rings

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

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