UCSF

ZINC55084819

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 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) 1.47 7.6 -48.12 2 5 1 53 287.387 3
Mid Mid (pH 6-8) 1.47 5.76 -14.6 1 5 0 52 286.379 3
Lo Low (pH 4.5-6) 1.47 8.07 -89.44 3 5 2 55 288.395 3

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

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