UCSF

ZINC40433823

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 28 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) 4.25 7.23 -49.55 2 4 -1 81 391.572 4
Lo Low (pH 4.5-6) 4.25 5.25 -10.49 3 4 0 78 392.58 4

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

No pre-computed analogs available. Try a structural similarity search.