UCSF

ZINC95881889

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 10 No

CAS Number: 583-40-4

Other Names:

MFCD00022638

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) -0.10 -0.76 -47.23 0 4 -1 49 151.174 0
Lo Low (pH 4.5-6) -0.10 -0.04 -12.38 1 4 0 51 152.182 0

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

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