UCSF

ZINC19864667

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.96 3.29 -47.32 3 3 1 46 210.297 5
Hi High (pH 8-9.5) 1.96 1.7 -6.6 2 3 0 41 209.289 5

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Rings

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