UCSF

ZINC62964902

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: (3R)-1-[(2R)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(2R)-2-amino-2-(2,3-dihy…

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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) -0.89 3.51 -40.23 3 5 1 52 292.403 4 ↓
Hi High (pH 8-9.5) -0.89 1.73 -45.35 3 5 1 53 292.403 4 ↓
Hi High (pH 8-9.5) -0.89 0.97 -5.69 2 5 0 51 291.395 4 ↓
Mid Mid (pH 6-8) -0.89 4.13 -101.62 4 5 2 54 293.411 4 ↓

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

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