UCSF

ZINC05408963

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 28 No

Popular Name: 1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxy-phenyl)-4-[hydroxy-(p-tolyl)methylene]-pyrrolidine-2,3-dio 1-(2-hydroxyethyl)-5-(4-hydroxy-…

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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) 1.53 3.17 -63.75 2 7 -1 110 382.392 6 ↓
Mid Mid (pH 6-8) 1.98 -3.47 -23.14 3 7 0 107 383.4 5 ↓
Lo Low (pH 4.5-6) 1.53 2.34 -17.13 3 7 0 107 383.4 6 ↓

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