UCSF

ZINC95862971

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 11 Yes

CAS Number: 28128-28-1

Other Names:

MFCD04118031

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) -0.35 -1.74 -27.39 1 5 -1 73 168.567 0
Lo Low (pH 4.5-6) -0.35 -1.8 -7.87 2 5 0 75 169.575 0

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

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