UCSF

ZINC52574415

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 20 Yes

Popular Name: N-[[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-[2-(3,5-dimethyl-1,2,4-tri…

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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) 0.16 5.65 -47.93 2 7 1 78 278.384 6 ↓
Hi High (pH 8-9.5) 0.16 4.42 -15.31 1 7 0 73 277.376 6 ↓
Lo Low (pH 4.5-6) 0.16 6.08 -88.93 3 7 2 79 279.392 6 ↓

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

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