UCSF

ZINC54746344

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 19 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) -1.13 -0.02 -72.76 2 8 1 104 290.369 7
Mid Mid (pH 6-8) -1.13 -1.36 -20.9 1 8 0 99 289.361 7

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

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