UCSF

ZINC42554631

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 Yes

Popular Name: (1S,2R)-2-(aminomethyl)-N-cyclopropyl-N-isobutyl-cycloheptanamine (1S,2R)-2-(aminomethyl)-N-cyclop…

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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) 2.91 7.33 -107.81 4 2 2 32 240.435 5 ↓

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