UCSF

ZINC05843660

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 11 Yes

Popular Name: 6-Hydroxyisoquinoline 6-Hydroxyisoquinoline

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CAS Numbers: 7651-82-3 , 7651-83-4 , [7651-82-3]

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) 1.55 2.13 -8.43 1 2 0 33 145.161 0 ↓
Hi High (pH 8-9.5) 1.55 2.91 -43.96 0 2 -1 36 144.153 0 ↓
Lo Low (pH 4.5-6) 1.55 2.56 -37.1 2 2 1 34 146.169 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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