UCSF

ZINC53341703

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 20 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) 2.34 7.43 -34.98 2 3 1 26 277.432 8
Hi High (pH 8-9.5) 2.34 5.19 -3 1 3 0 24 276.424 8
Hi High (pH 8-9.5) 2.34 6.54 -37.28 2 3 1 29 277.432 8
Mid Mid (pH 6-8) 2.34 8.77 -113.74 3 3 2 30 278.44 8

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

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