UCSF

ZINC39911709

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 Yes

Popular Name: (3aR,4S)-3-(2-hydroxy-3,5-dimethyl-phenyl)-4-(4-isopentyloxy-3-methoxy-phenyl)-5-(3-methoxypropyl)-3 (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) 5.10 10.03 -16.35 2 8 0 97 507.631 11 ↓
Hi High (pH 8-9.5) 4.87 9.72 -61.39 0 8 -1 96 506.623 11 ↓
Hi High (pH 8-9.5) 4.87 10 -52.74 0 8 -1 96 506.623 11 ↓
Hi High (pH 8-9.5) 5.10 11.02 -45.96 1 8 -1 100 506.623 11 ↓

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