UCSF

ZINC52345945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 2.82 8.56 -115.79 3 2 2 21 222.376 6
Hi High (pH 8-9.5) 2.82 8.16 -29.38 2 2 1 16 221.368 6
Hi High (pH 8-9.5) 2.82 6.34 -35.64 2 2 1 20 221.368 6

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Rings

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