UCSF

ZINC22013607

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 28 No

Download: MOL2 SDF SMILES Flexibase

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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) 6.39 8.08 -17.93 2 5 0 74 367.408 4
Hi High (pH 8-9.5) 6.39 10.95 -70.81 1 5 -1 77 366.4 4
Hi High (pH 8-9.5) 6.39 9.6 -60.17 1 5 -1 77 366.4 4

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