UCSF

ZINC52883479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 19 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) 3.46 7.64 -38.88 3 2 1 31 275.441 6
Hi High (pH 8-9.5) 3.46 7.33 -2.35 2 2 0 29 274.433 6
Lo Low (pH 4.5-6) 3.46 8.6 -122.79 4 2 2 32 276.449 6
Lo Low (pH 4.5-6) 3.46 8.29 -32.69 3 2 1 30 275.441 6

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

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