UCSF

ZINC37337545

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 No

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) 2.80 5.47 -8.02 1 3 0 46 245.322 2
Hi High (pH 8-9.5) 2.98 2.93 -44.42 0 3 -1 52 244.314 2

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

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