UCSF

ZINC41513219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 4.57 8.47 -10.23 1 5 0 63 413.473 4
Hi High (pH 8-9.5) 4.57 9.04 -42.33 0 5 -1 66 412.465 4
Lo Low (pH 4.5-6) 4.57 10.76 -46.9 2 5 1 64 414.481 4

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