UCSF

ZINC62973779

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 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) -0.53 -1.64 -44 3 4 1 43 214.333 3
Mid Mid (pH 6-8) -0.53 0.85 -115.19 4 4 2 45 215.341 3
Mid Mid (pH 6-8) -0.53 0.48 -33.72 3 4 1 43 214.333 3
Mid Mid (pH 6-8) -0.53 0.57 -92.19 4 4 2 45 215.341 3

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

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