UCSF

ZINC52514814

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 Yes

Popular Name: (2R)-N1-cyclopropyl-N2-ethyl-3-methyl-N2-(4-pyridylmethyl)butane-1,2-diamine (2R)-N1-cyclopropyl-N2-ethyl-3-m…

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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) 2.09 7.06 -42.09 2 3 1 33 262.421 8 ↓
Hi High (pH 8-9.5) 2.09 8.47 -33.84 2 3 1 29 262.421 8 ↓

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

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