UCSF

ZINC33931436

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Substance Information

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

Popular Name: (3aS,4S,6S,6aR)-6-(carboxymethyl)-4-(2-hydroxy-3-methoxy-phenyl)-2-(3-nitrophenyl)-1,3-dioxo-3a,4,5, (3aS,4S,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 9.58 -78.26 3 13 -1 210 484.397 7 ↓
Hi High (pH 8-9.5) -1.17 8.82 -113.95 2 13 -2 212 483.389 7 ↓
Hi High (pH 8-9.5) -1.17 9.17 -127.59 2 13 -2 205 483.389 7 ↓
Mid Mid (pH 6-8) -1.17 7.59 -53.19 4 13 0 207 485.405 7 ↓
Lo Low (pH 4.5-6) -1.17 5.87 -44.67 4 13 0 207 485.405 7 ↓

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