UCSF

ZINC67172765

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 21 No

Popular Name: 3-(8-chloro-4-oxo-2-sulfanyl[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl)propanoic acid 3-(8-chloro-4-oxo-2-sulfanyl[1]b…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.09 6.46 -104.96 0 6 -2 94 322.729 3 ↓
Lo Low (pH 4.5-6) 1.63 7.84 -51.99 1 6 -1 91 323.737 3 ↓

Activity (Go SEA)

Rings

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

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