UCSF

ZINC55575486

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 24 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) 0.52 3.55 -20.13 4 9 0 125 328.38 2
Lo Low (pH 4.5-6) 0.52 4.75 -53.95 5 9 1 127 329.388 2

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

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