UCSF

ZINC54444197

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 20 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) 3.37 5.27 -14.62 1 4 0 63 289.335 2
Mid Mid (pH 6-8) 3.63 5.86 -12.82 2 4 0 65 289.335 2

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

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