UCSF

ZINC62957661

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-4-methyl-benz (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) 4.43 10.75 -109.87 3 6 0 63 451.611 7 ↓
Hi High (pH 8-9.5) 4.43 9.13 -45.79 0 6 -1 63 448.587 7 ↓
Hi High (pH 8-9.5) 4.43 8.37 -8.46 1 6 0 60 449.595 7 ↓
Hi High (pH 8-9.5) 4.43 11.36 -52.23 1 6 0 64 449.595 7 ↓
Mid Mid (pH 6-8) 4.43 10.6 -41.06 2 6 1 61 450.603 7 ↓

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

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