UCSF

ZINC19734372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 4.32 9.05 -10.68 2 3 0 44 279.387 4
Mid Mid (pH 6-8) 4.32 9.46 -24.82 3 3 1 45 280.395 4

Activity (Go SEA)

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