UCSF

ZINC13282083

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 28 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) 4.72 11.96 -19.02 3 5 0 68 363.424 1
Mid Mid (pH 6-8) 4.72 12.65 -37.69 4 5 1 70 364.432 1

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

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