UCSF

ZINC08699925

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 12 Yes

Popular Name: 5-Methyl-2H-isoquinoline-1-one 5-Methyl-2H-isoquinoline-1-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 24188-72-5 , [24188-72-5]

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) 1.90 4.27 -10.27 1 2 0 33 159.188 0 ↓
Hi High (pH 8-9.5) 3.31 4.79 -8.76 2 5 0 68 352.434 7 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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