UCSF

ZINC39911727

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 Yes

Popular Name: (3aR,4R)-4-(3-butoxyphenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(3-methoxypropyl)-3a,4-dihydropyrrol (3aR,4R)-4-(3-butoxyphenyl)-3-(2…

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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) 5.27 9.55 -11.63 2 7 0 88 463.578 10 ↓
Hi High (pH 8-9.5) 5.04 10.11 -45.83 0 7 -1 87 462.57 10 ↓
Hi High (pH 8-9.5) 5.04 9.89 -54.37 0 7 -1 87 462.57 10 ↓
Hi High (pH 8-9.5) 5.27 10.63 -40.04 1 7 -1 91 462.57 10 ↓

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