UCSF

ZINC69074226

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 18 Yes

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

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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) 2.61 8.09 -106.57 3 3 2 30 256.434 9 ↓
Hi High (pH 8-9.5) 2.61 7.29 -29.23 2 3 1 26 255.426 9 ↓
Mid Mid (pH 6-8) 2.61 5.37 -32.82 2 3 1 29 255.426 9 ↓

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

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