UCSF

ZINC53373813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 17 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) 2.39 6.23 -33.5 2 3 1 30 237.367 5
Mid Mid (pH 6-8) 2.39 6.27 -39.58 2 3 1 33 237.367 5
Mid Mid (pH 6-8) 2.39 7.58 -115.97 3 3 2 34 238.375 5

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

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