UCSF

ZINC69463782

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 19 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) -0.09 8.7 -36.18 2 6 1 64 255.305 1
Hi High (pH 8-9.5) -0.09 8.23 -13.94 1 6 0 63 254.297 1
Lo Low (pH 4.5-6) -0.09 9.17 -76.26 3 6 2 65 256.313 1

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

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