UCSF

ZINC52544435

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 16 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) 2.82 7.77 -37.62 2 2 1 20 225.331 6
Hi High (pH 8-9.5) 2.82 6.42 -3.23 1 2 0 15 224.323 6

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Rings

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