UCSF

ZINC52345963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 18 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) 3.23 8.13 -35.75 2 2 1 20 249.422 8
Hi High (pH 8-9.5) 3.23 8.68 -34.78 2 2 1 16 249.422 8

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Rings

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