UCSF

ZINC39301125

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 32 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) 5.06 10.39 -14.18 3 8 0 101 426.48 7
Lo Low (pH 4.5-6) 5.06 10.03 -43.38 4 8 1 102 427.488 7

Activity (Go SEA)

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