UCSF

ZINC53651464

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 24 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) -3.64 3.71 -54.82 2 7 1 98 346.388 3
Hi High (pH 8-9.5) -3.64 4.74 -91.14 1 7 0 101 345.38 3

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

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