UCSF

ZINC58003208

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 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) 2.48 8.84 -85.99 3 4 2 43 272.396 5
Mid Mid (pH 6-8) 2.48 8.74 -38.95 2 4 1 42 271.388 5

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

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