UCSF

ZINC52503341

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 Yes

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

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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) 1.78 8.87 -182.7 4 5 3 52 297.467 10 ↓
Hi High (pH 8-9.5) 1.78 7.44 -84.31 3 5 2 50 296.459 10 ↓
Hi High (pH 8-9.5) 1.78 6.39 -97.08 3 5 2 50 296.459 10 ↓

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

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