UCSF

ZINC13597884

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 30 No

Popular Name: (5R)-5-(3-bromophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-5H-pyrrol-2 (5R)-5-(3-bromophenyl)-1-(2-dime…

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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) 3.63 10.76 -67.4 1 6 0 74 473.367 7 ↓
Hi High (pH 8-9.5) 3.63 8.23 -54.25 0 6 -1 73 472.359 7 ↓
Mid Mid (pH 6-8) 4.07 9.15 -57.17 2 6 1 71 474.375 6 ↓
Mid Mid (pH 6-8) 3.04 10.59 -54.74 1 6 1 68 474.375 7 ↓

Activity (Go SEA)

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