UCSF

ZINC37824456

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.06 5.5 -53.77 3 5 1 85 264.349 7
Hi High (pH 8-9.5) 1.06 5.27 -13.37 2 5 0 83 263.341 7

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Rings

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