UCSF

ZINC38019061

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 2.58 8.44 -75.51 3 3 2 21 281.488 5
Mid Mid (pH 6-8) 2.58 7.38 -97.02 3 3 2 24 281.488 5
Lo Low (pH 4.5-6) 2.58 9.61 -176.98 4 3 3 25 282.496 5

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

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