UCSF

ZINC69474065

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 21 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) 2.67 7.25 -29.99 2 4 1 44 281.383 5
Mid Mid (pH 6-8) 2.67 6.78 -11.89 1 4 0 43 280.375 5
Mid Mid (pH 6-8) 2.67 7.7 -35.67 2 4 1 47 281.383 5
Mid Mid (pH 6-8) 2.67 8.36 -85.24 3 4 2 45 282.391 5

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

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