UCSF

ZINC00001425

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 19 Yes

Popular Name: LS-190464 LS-190464

Find On: PubMed — Wikipedia — Google

CAS Number: 2045-52-5

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) 3.47 2.37 -40.72 1 2 1 7 255.385 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4256458 IBM Patent Data

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