UCSF

ZINC39885642

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 6.38 13.29 -18.59 1 5 0 64 460.024 8
Hi High (pH 8-9.5) 6.57 11.25 -47.42 0 5 -1 70 459.016 8

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