UCSF

ZINC19998954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.72 0.89 -45.39 4 5 1 77 278.785 5
Hi High (pH 8-9.5) 0.72 -1.63 -12.1 3 5 0 75 277.777 5

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Rings

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