UCSF

ZINC02327592

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 31 No

Popular Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-(4-nitrobenzylidene)coumaran-3-o (2Z)-6-hydroxy-7-[[4-(2-hydroxye…

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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) 2.15 5.36 -50.32 3 9 1 124 426.449 6 ↓
Hi High (pH 8-9.5) 2.15 3.65 -43.67 1 9 -1 126 424.433 6 ↓
Mid Mid (pH 6-8) 2.15 5.43 -44.75 3 9 1 124 426.449 6 ↓
Mid Mid (pH 6-8) 2.15 3.09 -12.54 2 9 0 123 425.441 6 ↓
Mid Mid (pH 6-8) 2.15 5.93 -33.15 2 9 0 127 425.441 6 ↓

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