UCSF

ZINC13691207

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Substance Information

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

Popular Name: (5S)-5-(4-chlorophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(1,3,5-trimethylpyrazole-4-carbonyl)-5H (5S)-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 9.25 -68.55 1 7 0 83 416.909 6 ↓
Hi High (pH 8-9.5) 1.91 6.73 -53.21 0 7 -1 82 415.901 6 ↓
Mid Mid (pH 6-8) 2.35 8.22 -65.32 2 7 1 80 417.917 5 ↓
Mid Mid (pH 6-8) 1.32 9.19 -60.99 1 7 1 77 417.917 6 ↓

Activity (Go SEA)

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