UCSF

ZINC35951234

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 27 Yes

Popular Name: 8-Hydroxy-5-((R)-1-hydroxy-2-(((R)-1-(4-methoxyphenyl)propan-2-yl)amino)ethyl)quinolin-2(1H)-one 8-Hydroxy-5-((R)-1-hydroxy-2-(((…

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CAS Number: 147568-66-9

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) 2.31 3.52 -76.01 4 6 0 102 368.433 7 ↓
Hi High (pH 8-9.5) 2.31 2.27 -45.89 3 6 -1 97 367.425 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0147719A2; US4579854; USRE33024 IBM Patent Data

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