UCSF

ZINC95889600

Substance Information

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

CAS Number: 132210-43-6

Other Names:

MFCD00895683

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) 0.25 7.06 -32.76 3 7 1 93 276.32 4
Mid Mid (pH 6-8) 0.25 6.06 -7.93 2 7 0 91 275.312 4

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

No pre-computed analogs available. Try a structural similarity search.