UCSF

ZINC52545499

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 Yes

Popular Name: (2R)-N1-cyclopropyl-N2-(3-furylmethyl)-N2,3-dimethyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-(3-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) 1.95 5.91 -33.83 2 3 1 33 237.367 7 ↓
Hi High (pH 8-9.5) 1.95 5.78 -2.31 1 3 0 28 236.359 7 ↓
Mid Mid (pH 6-8) 1.95 8.04 -112.68 3 3 2 34 238.375 7 ↓

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

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