UCSF

ZINC52576113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 21 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) 2.51 9.32 -75.57 3 4 2 45 289.423 7
Mid Mid (pH 6-8) 2.51 8.84 -41.8 2 4 1 44 288.415 7

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

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