UCSF

ZINC13691208

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 No

Popular Name: (5R)-5-(4-chlorophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(1,3,5-trimethylpyrazole-4-carbonyl)-5H (5R)-5-(4-chlorophenyl)-1-(2-dim…

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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) 1.91 8.73 -65.84 1 7 0 83 416.909 6 ↓
Hi High (pH 8-9.5) 1.91 6.19 -53.54 0 7 -1 82 415.901 6 ↓
Mid Mid (pH 6-8) 2.35 7.62 -63.05 2 7 1 80 417.917 5 ↓
Mid Mid (pH 6-8) 1.32 8.58 -55.58 1 7 1 77 417.917 6 ↓

Activity (Go SEA)

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