UCSF

ZINC67946623

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 23 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) 1.04 5.41 -19.85 1 6 0 88 311.341 1
Mid Mid (pH 6-8) 1.94 3.44 -44.57 0 6 -1 91 310.333 1

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

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