UCSF

ZINC36690241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 6.07 16.79 -38.15 1 4 1 38 497.537 10
Hi High (pH 8-9.5) 6.07 14.32 -11.82 0 4 0 36 496.529 10

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