UCSF

ZINC70090874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 3.31 6.71 -13.32 1 3 0 46 296.804 2
Hi High (pH 8-9.5) 3.77 4.53 -44.31 0 3 -1 49 295.796 2

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

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