UCSF

ZINC16160666

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 32 No

Popular Name: 2-Pyrazolin-5-one, 4,4'-(ethylenebis(iminomethylidyne))bis(3-methyl-1-phenyl-; 4,4'-(Ethylenebis(iminomethylidyne))bis(3-methyl-1-phenyl-2-pyrazolin-5-one); BRN 0903515; LS-128885 2-Pyrazolin-5-one, 4,4'-(ethylen…

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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) 1.75 9.65 -33.04 2 8 0 94 428.496 7 ↓
Mid Mid (pH 6-8) 3.18 8.39 -132.24 2 8 2 93 430.512 7 ↓

Activity (Go SEA)

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