UCSF

ZINC39912047

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 38 Yes

Popular Name: (3aR,4R)-4-(3-ethoxy-4-pentoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-pentyl-3a,4-dihydropyrrol (3aR,4R)-4-(3-ethoxy-4-pentoxy-p…

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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) 7.45 13.36 -15.36 2 7 0 88 519.686 13 ↓
Hi High (pH 8-9.5) 7.22 13.68 -51.28 0 7 -1 87 518.678 13 ↓
Hi High (pH 8-9.5) 7.22 13.94 -58.71 0 7 -1 87 518.678 13 ↓
Hi High (pH 8-9.5) 7.45 14.31 -40.55 1 7 -1 91 518.678 13 ↓

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