UCSF

ZINC34667868

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.65 8.05 -9.77 1 5 0 48 336.439 5
Mid Mid (pH 6-8) 2.65 8.37 -34.09 2 5 1 50 337.447 5
Mid Mid (pH 6-8) 2.65 10.26 -44.22 2 5 1 50 337.447 5
Lo Low (pH 4.5-6) 2.65 10.6 -101.46 3 5 2 51 338.455 5

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