UCSF

ZINC39911711

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Substance Information

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

Popular Name: (3aR,4R)-4-(4-butoxy-3-methoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(3-methoxypropyl)-3a,4-di (3aR,4R)-4-(4-butoxy-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) 4.88 9.45 -16.58 2 8 0 97 493.604 11 ↓
Hi High (pH 8-9.5) 4.65 10 -46.76 0 8 -1 96 492.596 11 ↓
Hi High (pH 8-9.5) 4.65 9.7 -58.42 0 8 -1 96 492.596 11 ↓
Hi High (pH 8-9.5) 4.88 10.54 -41.31 1 8 -1 100 492.596 11 ↓

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