UCSF

ZINC52576129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 14 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) -0.75 3.77 -87.63 4 4 2 56 197.282 3
Mid Mid (pH 6-8) -0.75 3.29 -45.36 3 4 1 55 196.274 3

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

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