UCSF

ZINC19864982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 0.45 -0.27 -42.71 5 5 1 89 225.268 6
Hi High (pH 8-9.5) 0.45 -1.84 -14.13 4 5 0 85 224.26 6

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Rings

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