UCSF

ZINC20219324

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 No

Popular Name: (5S)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(3-dimethylaminopropyl)-5-(4-fluorophenyl)-3-hydr (5S)-4-(2,3-dihydro-1,4-benzodio…

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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) 2.35 9.44 -73.31 1 7 0 83 440.471 7 ↓
Lo Low (pH 4.5-6) 2.35 8.62 -50.97 2 7 1 81 441.479 7 ↓

Activity (Go SEA)

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