UCSF

ZINC22913701

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 3.60 11.91 -30.96 1 5 1 38 404.582 8
Hi High (pH 8-9.5) 3.60 9.11 -6.56 0 5 0 37 403.574 8
Mid Mid (pH 6-8) 3.60 12.4 -32.89 1 5 1 38 404.582 8
Lo Low (pH 4.5-6) 3.60 12.85 -92.9 2 5 2 40 405.59 8

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

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