UCSF

ZINC68895142

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 16 Yes

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

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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) 1.74 6.73 -104.94 3 3 2 30 228.38 7 ↓
Hi High (pH 8-9.5) 1.74 5.91 -29.6 2 3 1 26 227.372 7 ↓
Mid Mid (pH 6-8) 1.74 6.91 -28.71 2 3 1 29 227.372 7 ↓

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

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