UCSF

ZINC60017804

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 Yes

Popular Name: (2S)-1-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-diethyl-propan-2-amine (2S)-1-[(4-benzyl-6-methyl-1,3-d…

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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) 4.32 10.4 -36.21 1 4 1 36 355.502 8 ↓
Hi High (pH 8-9.5) 4.32 8.29 -5.36 0 4 0 35 354.494 8 ↓
Lo Low (pH 4.5-6) 4.32 10.64 -88.97 2 4 2 37 356.51 8 ↓

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

No pre-computed analogs available. Try a structural similarity search.