UCSF

ZINC69482145

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.47 3.64 -14.47 2 6 0 85 344.363 3
Hi High (pH 8-9.5) 1.47 4.43 -50.22 1 6 -1 88 343.355 3

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

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