UCSF

ZINC95881983

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 13 No

CAS Number: 1078-00-8

Other Names:

MFCD02683917

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) -0.06 1.41 -49.88 4 3 1 64 176.243 2
Hi High (pH 8-9.5) -0.06 1.02 -6.34 3 3 0 63 175.235 2

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

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