UCSF

ZINC12757701

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 32 No

Popular Name: (5R)-1-(2-dimethylaminoethyl)-5-(4-ethoxy-3-methoxy-phenyl)-4-(4-fluorobenzoyl)-3-hydroxy-5H-pyrrol- (5R)-1-(2-dimethylaminoethyl)-5-…

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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) 2.59 9.68 -69.39 1 7 0 83 442.487 9 ↓
Hi High (pH 8-9.5) 2.59 7.13 -56.09 0 7 -1 82 441.479 9 ↓
Mid Mid (pH 6-8) 3.04 8.49 -60.18 2 7 1 81 443.495 8 ↓

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