UCSF

ZINC49568383

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 17 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) 0.51 2.51 -33.07 2 4 1 29 240.371 4
Hi High (pH 8-9.5) 0.51 -0.01 -2.6 1 4 0 28 239.363 4
Hi High (pH 8-9.5) 0.51 1.01 -41.68 2 4 1 32 240.371 4
Mid Mid (pH 6-8) 0.51 4.77 -84.36 3 4 2 30 241.379 4

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

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