UCSF

ZINC39696802

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 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) 1.37 6.02 -53.23 3 7 1 78 443.612 7
Mid Mid (pH 6-8) 1.37 8.45 -108.87 4 7 2 80 444.62 7

Activity (Go SEA)

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