UCSF

ZINC95862935

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 10 No

CAS Number: 5428-41-1

Other Names:

MFCD00051958

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) -0.83 -1.85 -17.91 1 5 0 82 137.098 0
Hi High (pH 8-9.5) -0.70 -2.93 -31.31 1 5 -1 93 136.09 0

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

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