UCSF

ZINC12759004

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Substance Information

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

Popular Name: (5R)-5-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(2-dimethylaminoethyl)-3-hydro (5R)-5-(4-chlorophenyl)-4-(2,3-d…

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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) 2.59 9.16 -71.61 1 7 0 83 442.899 6 ↓
Hi High (pH 8-9.5) 2.59 6.62 -57.42 0 7 -1 82 441.891 6 ↓
Mid Mid (pH 6-8) 3.04 8.04 -58.56 2 7 1 81 443.907 5 ↓

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