UCSF

ZINC53374779

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 19 Yes

Popular Name: N-benzyl-N-ethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-benzyl-N-ethyl-N'-[[(2S)-tetra…

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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) 1.93 6.74 -34.04 2 3 1 26 263.405 8 ↓
Mid Mid (pH 6-8) 1.93 6.06 -36.55 2 3 1 29 263.405 8 ↓
Lo Low (pH 4.5-6) 1.93 8.16 -116.07 3 3 2 30 264.413 8 ↓

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

No pre-computed analogs available. Try a structural similarity search.