UCSF

ZINC20232672

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 11 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) 0.49 3.32 -51.96 0 3 -1 53 148.141 2
Lo Low (pH 4.5-6) 0.49 3.76 -45.61 1 3 0 54 149.149 2

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

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