UCSF

ZINC39967182

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 26 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) 4.08 13 -43.82 1 5 1 44 373.546 9
Hi High (pH 8-9.5) 4.08 10.77 -12.16 0 5 0 43 372.538 9

Activity (Go SEA)

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