UCSF

ZINC09707569

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 35 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) 2.49 3.98 -16.99 0 12 0 130 486.46 9
Mid Mid (pH 6-8) 2.49 4.29 -43.63 1 12 1 131 487.468 9

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

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