UCSF

ZINC52569867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 31 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) 5.06 12.3 -14.27 2 6 0 64 435.959 3
Mid Mid (pH 6-8) 5.06 12.92 -42.04 3 6 1 65 436.967 3
Mid Mid (pH 6-8) 5.06 12.77 -46.78 3 6 1 66 436.967 3
Lo Low (pH 4.5-6) 5.06 13.39 -85.97 4 6 2 67 437.975 3

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

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