UCSF

ZINC00785043

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 18 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) 1.71 3.46 -47.33 0 5 -1 62 240.242 1
Mid Mid (pH 6-8) 1.71 2.75 -17.02 1 5 0 60 241.25 1

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

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