UCSF

ZINC21715186

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 23 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) 4.43 9.59 -55.74 2 4 0 66 326.783 5
Mid Mid (pH 6-8) 4.43 9.14 -52.37 1 4 -1 65 325.775 5

Activity (Go SEA)

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