UCSF

ZINC13513810

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 No

Popular Name: (5S)-5-(3-chlorophenyl)-1-(2-diethylaminoethyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydrox (5S)-5-(3-chlorophenyl)-1-(2-die…

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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) 3.32 10.97 -74.43 1 7 0 83 470.953 8 ↓
Hi High (pH 8-9.5) 3.32 8.77 -60.23 0 7 -1 82 469.945 8 ↓
Mid Mid (pH 6-8) 3.77 9.94 -59.87 2 7 1 81 471.961 7 ↓

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