UCSF

ZINC53495696

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 18 Yes

Popular Name: (2S)-N2-butyl-N2-cyclopropyl-N1-(2-furylmethyl)propane-1,2-diamine (2S)-N2-butyl-N2-cyclopropyl-N1-…

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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) 2.92 8.87 -114.36 3 3 2 34 252.402 9 ↓
Mid Mid (pH 6-8) 2.92 7.31 -38.36 2 3 1 33 251.394 9 ↓
Mid Mid (pH 6-8) 2.92 7.5 -30.36 2 3 1 30 251.394 9 ↓

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

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