UCSF

ZINC39911739

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Substance Information

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

Popular Name: (3aR,4R)-4-(3-ethoxy-4-propoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(3-methoxypropyl)-3a,4-di (3aR,4R)-4-(3-ethoxy-4-propoxy-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) 4.70 9.59 -16.47 2 8 0 97 493.604 11 ↓
Hi High (pH 8-9.5) 4.47 10.14 -47 0 8 -1 96 492.596 11 ↓
Hi High (pH 8-9.5) 4.47 9.84 -58.75 0 8 -1 96 492.596 11 ↓
Hi High (pH 8-9.5) 4.70 10.68 -41.81 1 8 -1 100 492.596 11 ↓

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