UCSF

ZINC54897325

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 Yes

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) 1.35 6.1 -47.91 3 4 1 53 290.412 3
Mid Mid (pH 6-8) 1.35 5.77 -9.49 2 4 0 51 289.404 3
Lo Low (pH 4.5-6) 1.35 6.54 -89.58 4 4 2 54 291.42 3

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

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