UCSF

ZINC36239669

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.50 11.29 -50.84 2 4 1 37 410.756 3
Hi High (pH 8-9.5) 4.50 8.57 -5.54 1 4 0 33 409.748 3
Lo Low (pH 4.5-6) 4.50 11.29 -86.32 3 4 2 38 411.764 3

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