UCSF

ZINC39675786

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 35 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) 1.79 9.98 -104.91 4 7 2 83 497.709 8
Hi High (pH 8-9.5) 1.79 7.49 -53.36 3 7 1 82 496.701 8

Activity (Go SEA)

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