UCSF

ZINC57279167

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 21 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) 1.68 7.27 -14.28 3 8 0 99 286.343 3
Lo Low (pH 4.5-6) 1.68 6.84 -29.62 4 8 1 101 287.351 3
Lo Low (pH 4.5-6) 1.68 7.75 -30.99 4 8 1 101 287.351 3

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

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