UCSF

ZINC36642370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.23 12.3 -36.06 1 6 1 55 392.936 7
Hi High (pH 8-9.5) 3.23 10.11 -8.38 0 6 0 54 391.928 7
Lo Low (pH 4.5-6) 3.23 11.52 -103.76 2 6 2 57 393.944 7

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

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