UCSF

ZINC48978252

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.28 4.32 -11.62 1 5 0 54 311.432 4
Lo Low (pH 4.5-6) 2.28 4.74 -32.87 2 5 1 56 312.44 4

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

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