UCSF

ZINC36881384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 No

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) 3.25 5.84 -10.22 1 3 0 46 275.801 5
Hi High (pH 8-9.5) 3.25 6.03 -38.63 0 3 -1 48 274.793 5

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Rings

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