UCSF

ZINC43221375

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 33 No

Popular Name: (3aS,4S,6R,6aR)-2-(2,6-diethylphenyl)-4-(2-hydroxy-3-methoxy-phenyl)-6-methyl-1,3-dioxo-3a,4,5,6a-te (3aS,4S,6R,6aR)-2-(2,6-diethylph…

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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) 1.49 10.2 -34.65 3 8 0 124 452.507 6 ↓
Hi High (pH 8-9.5) 1.49 10.22 -59.45 2 8 -1 126 451.499 6 ↓
Mid Mid (pH 6-8) 1.49 8.5 -53.97 2 8 -1 119 451.499 6 ↓

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