UCSF

ZINC39228545

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 2.70 11.72 -44.46 3 7 1 84 434.564 6
Mid Mid (pH 6-8) 2.70 11.21 -19.18 2 7 0 83 433.556 6

Activity (Go SEA)

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