UCSF

ZINC20613918

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 37 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) 4.77 16.24 -61.04 2 8 1 85 496.639 8
Hi High (pH 8-9.5) 4.77 13.03 -15.22 1 8 0 84 495.631 8

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

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