UCSF

ZINC22714432

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 23 No

Download: MOL2 SDF SMILES Flexibase

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) -0.73 0.52 -23.19 2 9 0 108 338.393 3
Hi High (pH 8-9.5) -1.29 0.24 -57 1 9 -1 121 337.385 3
Mid Mid (pH 6-8) -0.73 2.68 -65.35 3 9 1 109 339.401 3

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

No pre-computed analogs available. Try a structural similarity search.