UCSF

ZINC21214109

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 24 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) 2.25 4.79 -26.24 1 7 0 92 366.468 4
Hi High (pH 8-9.5) 2.32 3.88 -51.68 0 7 -1 99 365.46 4

Activity (Go SEA)

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