UCSF

ZINC65493590

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 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) 1.91 7.82 -52.34 3 8 0 122 330.373 4
Hi High (pH 8-9.5) 1.91 7.34 -47.19 2 8 -1 121 329.365 4

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

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