UCSF

ZINC39696641

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 33 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) 0.86 4.35 -50.48 3 7 1 78 469.528 5
Mid Mid (pH 6-8) 0.86 6.78 -104.21 4 7 2 80 470.536 5

Activity (Go SEA)

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