UCSF

ZINC31916020

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 4.70 10.9 -13.82 0 4 0 50 319.408 4
Mid Mid (pH 6-8) 4.70 11.34 -34.23 1 4 1 52 320.416 4

Activity (Go SEA)

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