UCSF

ZINC71573352

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 19 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) 3.53 6.32 -50.15 4 3 1 56 252.341 2
Hi High (pH 8-9.5) 3.53 5.92 -9.68 3 3 0 55 251.333 2
Lo Low (pH 4.5-6) 3.53 6.73 -92.99 5 3 2 58 253.349 2

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

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