UCSF

ZINC38610082

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 38 Yes

Popular Name: (4S,6aS)-4-(3-ethoxy-4-pentoxy-phenyl)-3-(2-hydroxyphenyl)-5-(4-pyridylmethyl)-4,6a-dihydropyrrolo[3 (4S,6aS)-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) 4.82 11.15 -18.23 2 8 0 101 512.61 11 ↓
Mid Mid (pH 6-8) 4.82 11.92 -57.09 1 8 -1 103 511.602 11 ↓
Lo Low (pH 4.5-6) 4.82 11.61 -52.29 3 8 1 102 513.618 11 ↓

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