UCSF

ZINC01514449

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 19 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 6.9 -14.42 1 4 0 47 248.289 1
Mid Mid (pH 6-8) 2.67 -0.86 -29.61 2 4 1 48 249.297 1
Lo Low (pH 4.5-6) 2.67 -0.76 -93.66 3 4 2 49 250.305 1
Lo Low (pH 4.5-6) 2.67 7.28 -92.99 3 4 2 49 250.305 0

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

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