UCSF

ZINC41587274

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 3.31 7.31 -11.88 0 9 0 101 465.506 6
Mid Mid (pH 6-8) 3.31 10.18 -57.18 1 9 1 102 466.514 6
Mid Mid (pH 6-8) 3.31 9.57 -50.4 1 9 1 102 466.514 6
Lo Low (pH 4.5-6) 3.31 12.45 -131.64 2 9 2 103 467.522 6

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

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