UCSF

ZINC95889663

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 20 No

CAS Number: 7416-34-4

Other Names:

MFCD00866709

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.53 3.51 -7.92 0 4 0 42 276.38 3
Lo Low (pH 4.5-6) 1.53 5.61 -39.79 1 4 1 43 277.388 3

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