UCSF

ZINC52382165

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 17 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 2.52 -39.77 2 4 1 42 256.395 5
Hi High (pH 8-9.5) 0.79 1.14 -5.65 1 4 0 37 255.387 5
Lo Low (pH 4.5-6) 0.79 4.81 -91.4 3 4 2 43 257.403 5

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

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