UCSF

ZINC21526715

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 36 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) 3.91 10.67 -42.27 2 8 1 75 498.692 8
Hi High (pH 8-9.5) 3.91 8.37 -10.93 1 8 0 74 497.684 8
Mid Mid (pH 6-8) 3.91 10.68 -44.55 2 8 1 75 498.692 8

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

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