UCSF

ZINC39797232

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -4.79 1.57 -163.06 5 11 -2 206 331.281 10
Hi High (pH 8-9.5) -4.79 1.16 -179.79 4 11 -3 205 330.273 10
Lo Low (pH 4.5-6) -4.79 -0.4 -119.14 6 11 -1 203 332.289 10

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