UCSF

ZINC13693578

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 No

Popular Name: (5R)-5-(3,4-dichlorophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(1,3,5-trimethylpyrazole-4-carbonyl (5R)-5-(3,4-dichlorophenyl)-1-(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) 2.51 9.17 -66.53 1 7 0 83 451.354 6 ↓
Hi High (pH 8-9.5) 2.51 6.63 -54.33 0 7 -1 82 450.346 6 ↓
Mid Mid (pH 6-8) 2.96 8.09 -64.58 2 7 1 80 452.362 5 ↓
Mid Mid (pH 6-8) 1.93 9.01 -57.79 1 7 1 77 452.362 6 ↓

Activity (Go SEA)

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