UCSF

ZINC50032410

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 24 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) 1.25 8.16 -45.19 2 7 1 80 342.46 13
Hi High (pH 8-9.5) 1.25 6.09 -15.9 1 7 0 79 341.452 13

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