UCSF

ZINC19864864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 1.63 3.57 -48.45 3 4 1 55 240.323 8
Hi High (pH 8-9.5) 1.63 2.07 -9.57 2 4 0 51 239.315 8

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Rings

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