UCSF

ZINC49569482

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 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) 2.47 7.99 -42.87 3 4 1 48 277.779 1
Hi High (pH 8-9.5) 2.47 5.55 -6.95 2 4 0 47 276.771 1
Lo Low (pH 4.5-6) 2.47 8.46 -88.48 4 4 2 50 278.787 1

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

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