UCSF

ZINC22123459

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 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) 2.42 7.17 -31.32 1 3 1 31 200.302 4
Mid Mid (pH 6-8) 2.42 5.49 -4.27 0 3 0 30 199.294 4

Activity (Go SEA)

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