UCSF

ZINC41474998

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 2.74 7.53 -47.95 0 5 -1 76 289.307 4
Ref Reference (pH 7) 3.19 8.25 -47.81 0 5 -1 76 289.307 5
Lo Low (pH 4.5-6) 2.16 8.08 -8.97 0 5 0 70 290.315 5
Lo Low (pH 4.5-6) 3.19 6.57 -7.02 1 5 0 73 290.315 5

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

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