UCSF

ZINC39680907

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.45 6.03 -68.79 3 9 1 107 483.589 7
Lo Low (pH 4.5-6) 0.45 6.48 -117.07 4 9 2 108 484.597 7

Activity (Go SEA)

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