UCSF

ZINC19432842

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) 0.79 2.87 -26.43 3 3 1 34 226.388 2
Hi High (pH 8-9.5) 0.79 3.67 -33.16 3 3 1 34 226.388 2
Mid Mid (pH 6-8) 0.79 4 -105.09 4 3 2 35 227.396 2
Mid Mid (pH 6-8) 0.79 5.26 -93.01 4 3 2 35 227.396 2

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

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