UCSF

ZINC57274405

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.58 11.47 -24.36 3 5 1 54 320.42 6
Hi High (pH 8-9.5) 4.32 10.61 -13.6 2 5 0 56 319.412 5
Lo Low (pH 4.5-6) 4.58 12.23 -61.92 4 5 0 56 321.428 6

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

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