UCSF

ZINC33829018

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 17 No

Popular Name: 1,2-Benzenediol, 4-(1-(2-propenyl)-3-piperidinyl)-, hydrobromide; 4-(1-(2-Propenyl)-3-piperidinyl)-1,2-benzenediol hydrobromide; LS-30023; N-Allyl-3-(3',4'-dihydroxyphenyl)piperidine hydrobromide 1,2-Benzenediol, 4-(1-(2-propeny…

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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) 2.49 4.39 -40.79 3 3 1 45 234.319 3 ↓
Hi High (pH 8-9.5) 2.49 2.13 -5.75 2 3 0 44 233.311 3 ↓

Activity (Go SEA)

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