UCSF

ZINC34380026

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 37 No

Popular Name: (3aS,4S,6R,6aR)-6-(carboxymethyl)-2-(2,6-diethylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dio (3aS,4S,6R,6aR)-6-(carboxymethyl…

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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) 0.59 11.94 -73.44 2 10 -1 153 507.519 7 ↓
Hi High (pH 8-9.5) 0.59 11.3 -134.06 1 10 -2 148 506.511 7 ↓
Hi High (pH 8-9.5) 0.59 11.01 -135.22 1 10 -2 148 506.511 7 ↓
Mid Mid (pH 6-8) 0.59 9.97 -37.26 3 10 0 150 508.527 7 ↓
Lo Low (pH 4.5-6) 0.59 10.19 -42.82 3 10 0 150 508.527 7 ↓

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