UCSF

ZINC66213945

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2011 20 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) 1.92 4.38 -54.29 4 5 1 75 278.376 8
Hi High (pH 8-9.5) 1.92 3.03 -15.74 3 5 0 70 277.368 8

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Rings

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