UCSF

ZINC69674259

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 18 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) 1.04 3.19 -8.95 4 6 0 93 249.318 6
Lo Low (pH 4.5-6) 1.04 3.42 -31.62 5 6 1 94 250.326 6

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

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