UCSF

ZINC54893912

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 25 No

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) 2.34 5.51 -17.61 1 6 0 71 342.395 6
Hi High (pH 8-9.5) 2.34 6.43 -63.58 0 6 -1 74 341.387 6
Lo Low (pH 4.5-6) 2.34 6.02 -12.84 2 6 0 73 343.403 6
Lo Low (pH 4.5-6) 2.34 4.85 -40.46 2 6 1 73 343.403 6

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

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