UCSF

ZINC52424263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 21 Yes

Popular Name: 2-methyl-N-[[1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine 2-methyl-N-[[1-[2-(4-methyl-1,4-…

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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) 0.96 7.76 -183.87 4 6 3 56 297.471 7 ↓
Hi High (pH 8-9.5) 0.96 5.95 -87.29 3 6 2 55 296.463 7 ↓
Hi High (pH 8-9.5) 0.96 5.35 -94.4 3 6 2 55 296.463 7 ↓
Hi High (pH 8-9.5) 0.96 3.42 -41.87 2 6 1 54 295.455 7 ↓

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

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