UCSF

ZINC13281169

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 18 Yes

CAS Numbers: 102518-79-6 , 116-28-9

Other Names:

LS-90743

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) 2.65 4.76 -51.22 4 3 1 61 243.33 0

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