UCSF

ZINC62957658

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 33 No

Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-benzofuran-3-on (2Z)-7-[[benzyl(methyl)amino]met…

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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) 5.18 13.92 -106.38 3 5 0 59 444.575 8 ↓
Hi High (pH 8-9.5) 5.18 12.01 -43.71 0 5 -1 60 441.551 8 ↓
Hi High (pH 8-9.5) 5.18 14.37 -30.54 1 5 0 61 442.559 8 ↓
Hi High (pH 8-9.5) 5.18 11.45 -9.63 1 5 0 57 442.559 8 ↓
Mid Mid (pH 6-8) 5.18 11.55 -50.32 2 5 0 58 443.567 8 ↓
Mid Mid (pH 6-8) 5.18 14.47 -77.44 2 5 0 62 443.567 8 ↓
Mid Mid (pH 6-8) 5.18 13.8 -47.57 2 5 1 58 443.567 8 ↓

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

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