UCSF

ZINC62952181

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 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) 2.31 6.33 -110.66 4 2 2 32 226.408 3
Hi High (pH 8-9.5) 2.31 5 -41.21 3 2 1 31 225.4 3
Hi High (pH 8-9.5) 2.31 5.94 -30.75 3 2 1 30 225.4 3

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

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