UCSF

ZINC55484173

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 35 No

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) 3.77 15.62 -72.94 1 12 -1 145 478.489 6
Lo Low (pH 4.5-6) 3.59 15.67 -71.83 2 12 0 143 479.497 7

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

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