UCSF

ZINC39696707

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 36 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) 0.95 5.89 -60.83 3 9 1 105 517.05 5
Mid Mid (pH 6-8) 0.95 8.31 -112.6 4 9 2 106 518.058 5

Activity (Go SEA)

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