UCSF

ZINC52346925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 3.19 9.09 -107.98 3 2 2 21 226.408 6
Hi High (pH 8-9.5) 3.19 6.58 -32.58 2 2 1 20 225.4 6
Hi High (pH 8-9.5) 3.19 8.64 -28.36 2 2 1 16 225.4 6

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

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