UCSF

ZINC21529302

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 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) 4.08 13.31 -52.63 2 7 1 79 474.61 5
Hi High (pH 8-9.5) 4.26 9.89 -45.78 0 7 -1 84 472.594 5
Mid Mid (pH 6-8) 4.26 12.29 -57.71 1 7 0 85 473.602 5
Mid Mid (pH 6-8) 4.08 11.03 -14.89 1 7 0 78 473.602 5

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

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