UCSF

ZINC62038726

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 29 No

Popular Name: (2R)-N-(5-formyl-2-hydroxy-phenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2- (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) 4.06 5.51 -18.87 3 7 0 112 429.523 5 ↓
Hi High (pH 8-9.5) 4.06 6.28 -48.9 2 7 -1 115 428.515 5 ↓
Hi High (pH 8-9.5) 4.52 4.91 -95.17 1 7 -2 118 427.507 5 ↓

Activity (Go SEA)

Rings

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

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