UCSF

ZINC39262307

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 17 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) 0.85 2.94 -11.47 1 9 0 138 261.215 4
Hi High (pH 8-9.5) 0.85 2.6 -38.14 0 9 -1 140 260.207 4

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Rings

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