UCSF

ZINC06524916

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 17 Yes

Popular Name: 1,7-Dihydroxy-9H-xanthen-9-one 1,7-Dihydroxy-9H-xanthen-9-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 529-61-3 , [529-61-3]

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) 2.80 2.83 -10.23 2 4 0 71 228.203 0 ↓
Hi High (pH 8-9.5) 2.80 3.56 -58.09 1 4 -1 73 227.195 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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