UCSF

ZINC39265333

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 34 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) 3.56 8.67 -16.18 1 8 0 99 509.535 7
Mid Mid (pH 6-8) 3.56 10.82 -54.44 2 8 1 100 510.543 7

Activity (Go SEA)

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