UCSF

ZINC53345289

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 20 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) 0.74 5.23 -41.29 2 6 1 58 280.396 7
Hi High (pH 8-9.5) 0.74 4 -7.39 1 6 0 54 279.388 7
Lo Low (pH 4.5-6) 0.74 7.44 -117.53 3 6 2 59 281.404 7

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

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