UCSF

ZINC95887321

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 17 Yes

CAS Number: 8041-44-9

Other Names:

MFCD00005655

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.31 2.89 -38.6 2 4 1 52 233.291 4

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