UCSF

ZINC36208087

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 Yes

Popular Name: (7S)-2-[[[(2S)-3-allyloxy-2-hydroxy-propyl]-methyl-amino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-benz (7S)-2-[[[(2S)-3-allyloxy-2-hydr…

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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) 2.29 6.79 -52.82 3 6 1 80 378.518 8 ↓
Hi High (pH 8-9.5) 2.29 4.47 -13.69 2 6 0 78 377.51 8 ↓
Hi High (pH 8-9.5) 2.75 4.35 -48.23 2 6 0 83 377.51 8 ↓

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