UCSF

ZINC20219523

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 36 No

Popular Name: (5S)-5-(3,4-diethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(2-dimethylaminoethyl)-3-h (5S)-5-(3,4-diethoxyphenyl)-4-(2…

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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) 2.31 10.13 -77.37 1 9 0 102 496.56 10 ↓
Hi High (pH 8-9.5) 2.31 7.6 -60.53 0 9 -1 101 495.552 10 ↓
Lo Low (pH 4.5-6) 2.31 9.32 -59.8 2 9 1 99 497.568 10 ↓

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