UCSF

ZINC42466613

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 Yes

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

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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) 2.41 4.98 -36.98 2 3 1 29 241.399 6 ↓
Hi High (pH 8-9.5) 2.41 3.78 -2.18 1 3 0 24 240.391 6 ↓
Hi High (pH 8-9.5) 2.41 6.1 -32.07 2 3 1 26 241.399 6 ↓

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