UCSF

ZINC37100822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 4.24 6.65 -12.98 3 3 0 46 340.285 4
Hi High (pH 8-9.5) 4.24 6.83 -4.65 2 3 0 41 339.277 4

Activity (Go SEA)

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