UCSF

ZINC62976897

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3R)-1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[3-(aminomethyl)-6,7-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) 2.05 8.27 -185.68 5 4 3 49 291.463 5 ↓
Hi High (pH 8-9.5) 2.05 5.79 -48.46 3 4 1 47 289.447 5 ↓
Hi High (pH 8-9.5) 2.05 5.96 -21.75 3 4 1 47 289.447 5 ↓
Mid Mid (pH 6-8) 2.05 7.83 -109.09 4 4 2 48 290.455 5 ↓
Mid Mid (pH 6-8) 2.05 6.23 -99.18 4 4 2 48 290.455 5 ↓

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

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