UCSF

ZINC05287306

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 24 No

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) 3.13 3.57 -12.29 1 6 0 79 348.424 5
Hi High (pH 8-9.5) 3.13 4.34 -49.81 0 6 -1 82 347.416 5
Lo Low (pH 4.5-6) 3.13 4.03 -36.91 2 6 1 81 349.432 5

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