UCSF

ZINC59213121

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 28 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) 4.79 5.41 -14.69 1 6 0 81 455.337 5
Lo Low (pH 4.5-6) 4.79 5.79 -34.22 2 6 1 82 456.345 5

Activity (Go SEA)

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