UCSF

ZINC52448877

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 15 Yes

Popular Name: (2S)-N,N'-dicyclopropyl-2-methyl-N'-propyl-propane-1,3-diamine (2S)-N,N'-dicyclopropyl-2-methyl…

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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) 2.48 8.54 -93.45 3 2 2 21 212.381 8 ↓
Hi High (pH 8-9.5) 2.48 7.39 -30.27 2 2 1 16 211.373 8 ↓

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

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