UCSF

ZINC33931437

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 35 No

Popular Name: (3aS,4R,6S,6aR)-6-(carboxymethyl)-4-(2-hydroxy-3-methoxy-phenyl)-2-(3-nitrophenyl)-1,3-dioxo-3a,4,5, (3aS,4R,6S,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) -1.17 8.66 -89.01 3 13 -1 210 484.397 7 ↓
Hi High (pH 8-9.5) -1.17 8.95 -112.42 2 13 -2 212 483.389 7 ↓
Hi High (pH 8-9.5) -1.17 7.69 -151.48 2 13 -2 205 483.389 7 ↓
Mid Mid (pH 6-8) -1.17 6.66 -59.9 4 13 0 207 485.405 7 ↓
Lo Low (pH 4.5-6) -1.17 6.26 -40.83 4 13 0 207 485.405 7 ↓

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