UCSF

ZINC62038778

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 30 No

Popular Name: (2R)-N-(5-formyl-2-hydroxy-phenyl)-2-[[5-(2-furyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]pro (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) 3.75 5.59 -23.61 3 8 0 125 441.49 6 ↓
Hi High (pH 8-9.5) 4.21 4.4 -50.64 2 8 -1 128 440.482 6 ↓
Hi High (pH 8-9.5) 4.21 5.15 -96.37 1 8 -2 131 439.474 6 ↓

Activity (Go SEA)

Rings

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

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