UCSF

ZINC53344058

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 17 Yes

Popular Name: 1,2-ethanediamine, N-cyclohexyl-N-methyl-N'-[(tetrahydro-2-furanyl)methyl]- 1,2-ethanediamine, N-cyclohexyl-…

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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) 2.06 5.62 -32.05 2 3 1 26 241.399 6 ↓
Hi High (pH 8-9.5) 2.06 3.13 -1.91 1 3 0 24 240.391 6 ↓
Mid Mid (pH 6-8) 2.06 4.47 -35.43 2 3 1 29 241.399 6 ↓
Mid Mid (pH 6-8) 2.06 6.94 -110.74 3 3 2 30 242.407 6 ↓

Activity (Go SEA)

Rings

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