UCSF

ZINC55108533

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 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) 2.00 8.42 -106.54 3 5 2 39 335.492 8
Hi High (pH 8-9.5) 2.00 5.91 -35.65 2 5 1 38 334.484 8
Lo Low (pH 4.5-6) 2.00 9.46 -199.98 4 5 3 44 336.5 8

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

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