UCSF

ZINC52346094

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 19 Yes

Popular Name: (2R)-N1-cyclopropyl-N2-[(4-fluorophenyl)methyl]-N2,3-dimethyl-butane-1,2-diamine (2R)-N1-cyclopropyl-N2-[(4-fluor…

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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) 3.17 10 -122.48 3 2 2 21 266.404 7 ↓
Hi High (pH 8-9.5) 3.17 7.71 -37.42 2 2 1 20 265.396 7 ↓

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

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