UCSF

ZINC20360939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 17 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) -0.11 4.77 -49.95 2 5 1 70 236.295 6
Hi High (pH 8-9.5) -0.11 2.47 -11.67 1 5 0 69 235.287 6

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Rings

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