UCSF

ZINC33878322

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 26 No

Popular Name: 1-(3,4,5-Trimethoxybenzyl)-4-(2-guanidinoethyl)-perhydro-1,4-diazepine sulphate; Guanidine, (2-(hexahydro-4-((3,4,5-trimethoxyphenyl)methyl)-1H-1,4-diazepin-1-yl)ethyl)-, sulfate (2:1); LS-73700 1-(3,4,5-Trimethoxybenzyl)-4-(2-…

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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) 0.40 3.25 -38.45 5 8 1 98 366.486 9 ↓
Mid Mid (pH 6-8) 0.40 5.27 -94.05 6 8 2 99 367.494 9 ↓
Lo Low (pH 4.5-6) 0.40 5.07 -108.82 6 8 2 99 367.494 9 ↓

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