UCSF

ZINC40662429

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 26 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) 0.40 5.08 -58.39 3 8 -1 119 375.43 5
Lo Low (pH 4.5-6) 0.40 4.84 -69.78 4 8 0 120 376.438 5

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

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