UCSF

ZINC98175565

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2014 35 Yes

CAS Number: 1841-19-6

Other Names:

MFCD00055137

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) 5.52 14.48 -45.17 2 4 1 37 476.591 7
Hi High (pH 8-9.5) 5.52 12.22 -9.72 1 4 0 36 475.583 7

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

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