UCSF

ZINC52456583

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 16 Yes

Popular Name: (2S)-N1-cyclopropyl-N2-(2-furylmethyl)-N2-methyl-butane-1,2-diamine (2S)-N1-cyclopropyl-N2-(2-furylm…

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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) 2.02 5.43 -33.53 2 3 1 33 223.34 7 ↓
Mid Mid (pH 6-8) 2.02 7.16 -110.38 3 3 2 34 224.348 7 ↓

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

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