UCSF

ZINC67225562

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 24 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) 1.87 3.83 -48.87 1 7 -1 92 325.348 5
Mid Mid (pH 6-8) 1.41 5.24 -18.53 2 7 0 89 326.356 5

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

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