UCSF

ZINC14982852

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 13 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) 2.37 5.5 -8.19 0 2 0 26 173.215 1
Lo Low (pH 4.5-6) 2.37 5.74 -26.72 1 2 1 27 174.223 1

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

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