UCSF

ZINC37828149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.57 7.36 -46.72 0 4 -1 60 252.265 5
Lo Low (pH 4.5-6) 1.57 5.38 -9.71 1 4 0 58 253.273 5

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Rings

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