UCSF

ZINC95862940

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 11 Yes

CAS Number: 68742-28-9

Other Names:

MFCD00047201

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) 2.37 5.64 -5.09 0 1 0 12 145.205 1

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

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