UCSF

ZINC23283225

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 21 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) 3.41 8.79 -36.61 2 2 1 25 282.407 5
Mid Mid (pH 6-8) 3.41 6.55 -5.2 1 2 0 23 281.399 5

Activity (Go SEA)

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