UCSF

ZINC42466689

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 Yes

Popular Name: N'-(cyclopropylmethyl)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]ethane-1,2-diamine N'-(cyclopropylmethyl)-N-methyl-…

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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) 1.53 4.55 -38.33 2 3 1 29 227.372 7 ↓
Hi High (pH 8-9.5) 1.53 3.2 -2.26 1 3 0 24 226.364 7 ↓
Mid Mid (pH 6-8) 1.53 5.63 -32.38 2 3 1 26 227.372 7 ↓

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