UCSF

ZINC20219249

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Popular Name: (5S)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-5-(2,3-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-3- (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) 1.74 7.76 -74.62 1 9 0 102 468.506 8 ↓
Hi High (pH 8-9.5) 1.74 5.23 -59.77 0 9 -1 101 467.498 8 ↓
Lo Low (pH 4.5-6) 1.74 6.94 -52.1 2 9 1 99 469.514 8 ↓

Activity (Go SEA)

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