UCSF

ZINC36783441

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 Yes

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) 1.21 3.73 -28.36 3 3 1 34 240.415 5
Hi High (pH 8-9.5) 1.21 3.9 -34.29 3 3 1 34 240.415 5
Lo Low (pH 4.5-6) 1.21 4.08 -117.4 4 3 2 35 241.423 5

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