UCSF

ZINC60084615

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 15 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) 2.66 5.23 -8.1 1 2 0 29 237.349 3
Hi High (pH 8-9.5) 2.66 5.77 -47.4 1 2 -1 29 236.341 3

Activity (Go SEA)

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