UCSF

ZINC62957652

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 31 No

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]benzofuran-3- (2Z)-2-[[4-(diethylamino)phenyl]…

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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) 3.68 9.69 -125.68 3 6 0 63 423.557 6 ↓
Hi High (pH 8-9.5) 3.68 7.78 -44.32 0 6 -1 63 420.533 6 ↓
Hi High (pH 8-9.5) 3.68 10.16 -49.48 1 6 0 64 421.541 6 ↓
Hi High (pH 8-9.5) 3.68 7.22 -9.18 1 6 0 60 421.541 6 ↓
Mid Mid (pH 6-8) 3.68 9.58 -44.54 2 6 1 61 422.549 6 ↓

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

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