UCSF

ZINC59732253

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 33 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) 1.09 1.42 -56.51 4 11 -1 179 459.383 5
Hi High (pH 8-9.5) 1.09 2.4 -130.28 3 11 -2 182 458.375 5

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

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