UCSF

ZINC37298928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 0.75 2.79 -54.02 4 5 1 77 267.349 6
Hi High (pH 8-9.5) 0.75 3.85 -81.83 3 5 0 80 266.341 6

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Rings

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