UCSF

ZINC12757816

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 31 No

Popular Name: (5S)-5-(3-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(2-dimethylaminoethyl)-3-hydrox (5S)-5-(3-bromophenyl)-4-(2,3-di…

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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) 2.70 9.21 -73.54 1 7 0 83 487.35 6 ↓
Hi High (pH 8-9.5) 2.70 6.68 -62.08 0 7 -1 82 486.342 6 ↓
Mid Mid (pH 6-8) 3.15 8.11 -58.35 2 7 1 81 488.358 5 ↓

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