UCSF

ZINC69944997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 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) 1.91 4.01 -38.85 2 2 1 20 197.346 1
Mid Mid (pH 6-8) 1.91 5.9 -98.35 3 2 2 21 198.354 1
Mid Mid (pH 6-8) 1.91 4.54 -28.36 2 2 1 16 197.346 1

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

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