UCSF

ZINC53932208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 18 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) 0.97 5.28 -36.79 2 3 1 20 248.394 5
Hi High (pH 8-9.5) 0.97 6.49 -90.95 3 3 2 24 249.402 5
Hi High (pH 8-9.5) 0.97 4.12 -40.17 2 3 1 23 248.394 5
Lo Low (pH 4.5-6) 0.97 6.38 -113.82 3 3 2 24 249.402 5

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

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