UCSF

ZINC54419125

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 14 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) -1.01 1.74 -124.07 4 5 2 71 198.27 5
Mid Mid (pH 6-8) -1.01 -0.6 -50.24 3 5 1 70 197.262 5

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

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