UCSF

ZINC20230156

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 No

Popular Name: (5S)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-nitrophenyl (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) 1.88 9.71 -77.53 1 10 0 129 453.451 7 ↓
Hi High (pH 8-9.5) 1.88 7.17 -56.67 0 10 -1 128 452.443 7 ↓
Lo Low (pH 4.5-6) 1.88 8.89 -65.43 2 10 1 126 454.459 7 ↓

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