UCSF

ZINC36136578

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 Yes

Popular Name: (1-aminocyclohexyl)-[(2S)-2-(4-pyridyl)pyrrolidin-1-yl]methanone (1-aminocyclohexyl)-[(2S)-2-(4-p…

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Download: MOL2 SDF SMILES Flexibase

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) 1.75 5.05 -54 3 4 1 61 274.388 2 ↓
Mid Mid (pH 6-8) 1.75 5.26 -9.36 2 4 0 59 273.38 2 ↓
Lo Low (pH 4.5-6) 1.75 5.51 -90.67 4 4 2 62 275.396 2 ↓

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