UCSF

ZINC39327884

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 24 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) 2.79 5.13 -10.59 3 5 0 81 340.452 4
Mid Mid (pH 6-8) 2.79 5.34 -32.61 4 5 1 82 341.46 4
Lo Low (pH 4.5-6) 2.79 5.81 -75.86 5 5 2 83 342.468 4

Activity (Go SEA)

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