UCSF

ZINC55150346

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 22 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) 1.75 4.73 -53.39 2 7 -1 108 307.326 7
Lo Low (pH 4.5-6) 1.75 2.75 -16.01 3 7 0 105 308.334 7

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Rings

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