UCSF

ZINC54832084

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 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) 2.80 8.34 -36.43 2 4 1 46 249.382 4
Hi High (pH 8-9.5) 2.80 7.11 -7.32 1 4 0 41 248.374 4

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

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