UCSF

ZINC41495413

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 Yes

Popular Name: 2-[4-(1,3-benzodioxol-5-ylamino)-6-fluoro-2-methyl-3-quinolyl]acetic 2-[4-(1,3-benzodioxol-5-ylamino)…

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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) 2.76 7.96 -40.07 2 6 0 88 354.337 3 ↓
Hi High (pH 8-9.5) 3.02 8.53 -44.66 2 6 0 85 354.337 4 ↓
Hi High (pH 8-9.5) 3.02 8.14 -45.75 1 6 -1 84 353.329 4 ↓

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

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