UCSF

ZINC37102609

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.69 5.92 -45.74 3 5 1 72 296.387 9
Hi High (pH 8-9.5) 2.69 4.87 -7.47 2 5 0 68 295.379 9

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Rings

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