UCSF

ZINC39912714

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Substance Information

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

Popular Name: (3aR,4S)-4-(3-butoxyphenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(3-isopropoxypropyl)-3a,4-dihydropyr (3aR,4S)-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) 6.01 10.96 -11.75 2 7 0 88 491.632 11 ↓
Hi High (pH 8-9.5) 5.78 11.57 -56.79 0 7 -1 87 490.624 11 ↓
Hi High (pH 8-9.5) 5.78 11.37 -54.47 0 7 -1 87 490.624 11 ↓
Hi High (pH 8-9.5) 6.01 11.89 -46.58 1 7 -1 91 490.624 11 ↓

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