UCSF

ZINC69497825

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 18 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) 3.38 9.27 -102.08 3 3 2 36 251.418 7
Hi High (pH 8-9.5) 3.38 7.71 -4.38 1 3 0 30 249.402 7
Hi High (pH 8-9.5) 3.38 8.87 -35.92 2 3 1 34 250.41 7
Mid Mid (pH 6-8) 3.38 8.44 -26.75 2 3 1 31 250.41 7

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

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