UCSF

ZINC69488626

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 25 Yes

Popular Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-2- (2S)-1-(1,3-benzodioxol-5-ylmeth…

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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) 0.30 4.4 -38.57 2 7 1 70 346.407 6 ↓
Hi High (pH 8-9.5) 0.30 3.94 -15.31 1 7 0 69 345.399 6 ↓
Mid Mid (pH 6-8) 0.30 6.66 -105.55 3 7 2 71 347.415 6 ↓
Lo Low (pH 4.5-6) 0.30 6.2 -46.38 2 7 1 70 346.407 6 ↓

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Rings

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

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