UCSF

ZINC39228478

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 2.23 4.16 -14.33 3 5 0 68 329.444 6
Mid Mid (pH 6-8) 2.23 6.38 -52.81 4 5 1 70 330.452 6

Activity (Go SEA)

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