UCSF

ZINC37021646

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 Yes

Popular Name: (1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-cyclohexanamine (1R,3S)-N-[[(2S)-1-ethylpyrrolid…

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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) 2.81 6.76 -33.68 2 2 1 20 225.4 4 ↓
Hi High (pH 8-9.5) 2.81 7.4 -28.84 2 2 1 16 225.4 4 ↓
Mid Mid (pH 6-8) 2.81 8.58 -111.95 3 2 2 21 226.408 4 ↓

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