UCSF

ZINC62957651

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 32 No

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-4-methyl-7-[(4-methylpiperazin-1-yl)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) 4.05 10.34 -121.15 3 6 0 63 437.584 6 ↓
Hi High (pH 8-9.5) 4.05 7.85 -9.04 1 6 0 60 435.568 6 ↓
Hi High (pH 8-9.5) 4.05 10.81 -49.5 1 6 0 64 435.568 6 ↓
Hi High (pH 8-9.5) 4.05 8.43 -45.16 0 6 -1 63 434.56 6 ↓
Mid Mid (pH 6-8) 4.05 10.23 -44.29 2 6 1 61 436.576 6 ↓

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

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