UCSF

ZINC52544199

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 20 Yes

Popular Name: N-[[3-[(cyclopropylamino)methyl]isoxazol-5-yl]methyl]-N',N'-dimethyl-N-propyl-ethane-1,2-diamine N-[[3-[(cyclopropylamino)methyl]…

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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) 1.54 5.99 -95.95 3 5 2 50 282.432 10 ↓
Mid Mid (pH 6-8) 1.54 6.34 -83.36 3 5 2 50 282.432 10 ↓
Lo Low (pH 4.5-6) 1.54 8.46 -180.14 4 5 3 52 283.44 10 ↓

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

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