UCSF

ZINC21297348

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 16 No

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) -1.99 2.99 -41.3 3 4 0 85 241.312 5
Hi High (pH 8-9.5) -1.99 2.48 -51.8 2 4 -1 83 240.304 5

Activity (Go SEA)

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