UCSF

ZINC09231970

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 34 Yes

Popular Name: (-)-Cephaeline dihydrochloride; 7',10,11-Trimethoxyemetan-6'-ol dihydrochloride; CEPHAELINE HCL; Cephaeline hydrochloride; Cephaeline, dihydrochloride; Cephaleine hydrochloride; EINECS 227-463-3; Emetan-6'-ol, 7',10,11-trimethoxy-, dihydrochloride; LS-527 (-)-Cephaeline dihydrochloride; …

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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) 3.33 9.98 -127.51 4 6 2 69 468.638 6 ↓
Hi High (pH 8-9.5) 3.33 6.96 -10.87 2 6 0 63 466.622 6 ↓
Mid Mid (pH 6-8) 3.33 8.72 -51.26 3 6 1 64 467.63 6 ↓

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