UCSF

ZINC52452339

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 14 Yes

Popular Name: (3S)-N1,N3-dicyclopropyl-N3-ethyl-butane-1,3-diamine (3S)-N1,N3-dicyclopropyl-N3-ethy…

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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) 1.84 7.25 -95.73 3 2 2 21 198.354 7 ↓
Hi High (pH 8-9.5) 1.84 5.93 -27.54 2 2 1 16 197.346 7 ↓

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

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