UCSF

ZINC40446143

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 21 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) 2.47 3.6 -40.59 2 5 1 54 442.197 5
Mid Mid (pH 6-8) 2.47 3.48 -43.56 2 5 1 54 442.197 5
Mid Mid (pH 6-8) 2.47 1.22 -7.32 1 5 0 53 441.189 5

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

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