UCSF

ZINC13551848

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 No

Popular Name: (5R)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(4-methoxybenzoyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2- (5R)-1-(2-dimethylaminoethyl)-3-…

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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) 2.10 7.92 -72.24 1 9 0 102 470.522 10 ↓
Hi High (pH 8-9.5) 2.10 5.39 -59.41 0 9 -1 101 469.514 10 ↓
Mid Mid (pH 6-8) 2.54 6.76 -59.12 2 9 1 99 471.53 9 ↓
Mid Mid (pH 6-8) 1.51 7.77 -62.82 1 9 1 96 471.53 10 ↓

Activity (Go SEA)

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