UCSF

ZINC39911722

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 Yes

Popular Name: (3aR,4S)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(3-methoxypropyl)-4-(3-propoxyphenyl)-3a,4-dihydropyrro (3aR,4S)-3-(2-hydroxy-3,5-dimeth…

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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) 4.71 8.46 -11.97 2 7 0 88 449.551 9 ↓
Hi High (pH 8-9.5) 4.48 9.08 -56.82 0 7 -1 87 448.543 9 ↓
Hi High (pH 8-9.5) 4.48 8.87 -54.41 0 7 -1 87 448.543 9 ↓
Hi High (pH 8-9.5) 4.71 9.4 -46.67 1 7 -1 91 448.543 9 ↓

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