UCSF

ZINC33931429

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 33 No

Popular Name: (3aS,4S,6R,6aR)-6-(carboxymethyl)-4-(2-hydroxy-3-methoxy-phenyl)-2-(o-tolyl)-1,3-dioxo-3a,4,5,6a-tet (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) -0.70 9.18 -74.08 3 10 -1 164 453.427 6 ↓
Hi High (pH 8-9.5) -0.70 8.93 -113.76 2 10 -2 167 452.419 6 ↓
Hi High (pH 8-9.5) -0.70 7.56 -133.99 2 10 -2 159 452.419 6 ↓
Mid Mid (pH 6-8) -0.70 7.18 -35.28 4 10 0 161 454.435 6 ↓
Lo Low (pH 4.5-6) -0.70 6.22 -38.29 4 10 0 161 454.435 6 ↓

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