UCSF

ZINC71791727

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2012 22 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) 4.50 6 -48.4 4 3 1 57 302.438 7
Mid Mid (pH 6-8) 4.50 5.15 -5.9 3 3 0 55 301.43 7

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

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