UCSF

ZINC52516350

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 15 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) -1.63 1.07 -110.26 4 4 2 58 234.365 3
Hi High (pH 8-9.5) -1.63 -1.18 -47.58 3 4 1 57 233.357 3
Hi High (pH 8-9.5) -1.63 -1.57 -14.42 2 4 0 56 232.349 3

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

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