UCSF

ZINC49982654

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 0.47 -0.98 -7 0 5 0 47 229.305 4
Lo Low (pH 4.5-6) 0.47 1.31 -41.39 1 5 1 49 230.313 4

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

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