UCSF

ZINC37335101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 No

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) 0.78 2.56 -55 1 6 0 79 287.319 3
Hi High (pH 8-9.5) 0.32 3.1 -7.34 1 6 0 75 287.319 3
Hi High (pH 8-9.5) 0.78 0.34 -37.37 0 6 -1 78 286.311 3
Mid Mid (pH 6-8) 0.32 5.31 -44.68 2 6 1 76 288.327 3

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

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