UCSF

ZINC39912048

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Substance Information

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

Popular Name: (3aR,4S)-4-(3-ethoxy-4-isopentyloxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-pentyl-3a,4-dihydrop (3aR,4S)-4-(3-ethoxy-4-isopentyl…

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Vendors

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) 7.16 13.39 -14.57 2 7 0 88 519.686 12 ↓
Hi High (pH 8-9.5) 6.93 13.72 -57.78 0 7 -1 87 518.678 12 ↓
Hi High (pH 8-9.5) 6.93 13.73 -51.23 0 7 -1 87 518.678 12 ↓
Hi High (pH 8-9.5) 7.16 14.4 -44.05 1 7 -1 91 518.678 12 ↓

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