UCSF

ZINC85536958

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2013 57 No

Popular Name: FDA FDA

Find On: PubMed — Wikipedia — Google

CAS Numbers: 125317-39-7 , 71486-22-1

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) 5.92 15.67 -48.32 3 12 1 135 779.955 10 ↓
Mid Mid (pH 6-8) 5.92 14.13 -12.81 2 12 0 134 778.947 10 ↓
Mid Mid (pH 6-8) 5.92 18.35 -93.91 4 12 2 136 780.963 10 ↓

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

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