UCSF

ZINC66859465

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 27 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) 1.67 5.18 -51.97 1 8 1 90 399.468 6
Mid Mid (pH 6-8) 1.67 2.72 -13.99 0 8 0 89 398.46 6

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

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