UCSF

ZINC24178797

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 27 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) 2.65 8.33 -11.53 0 5 0 42 370.493 4
Mid Mid (pH 6-8) 2.65 10.54 -51.98 1 5 1 43 371.501 4

Activity (Go SEA)

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