UCSF

ZINC39912676

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 Yes

Popular Name: (3aR,4S)-4-(4-ethoxy-3-methoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(3-isopropoxypropyl)-3a,4 (3aR,4S)-4-(4-ethoxy-3-methoxy-p…

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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) 4.56 9.28 -17.42 2 8 0 97 493.604 10 ↓
Hi High (pH 8-9.5) 4.33 9.79 -61.3 0 8 -1 96 492.596 10 ↓
Hi High (pH 8-9.5) 4.33 9.61 -52.87 0 8 -1 96 492.596 10 ↓
Hi High (pH 8-9.5) 4.56 10.2 -44.48 1 8 -1 100 492.596 10 ↓

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