UCSF

ZINC67742666

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 22 Yes

Popular Name: N-[(4-isopropyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(3-methylimidazo[1,5-a]pyridin-1-yl)methanamin N-[(4-isopropyl-1,2,4-triazol-3-…

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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) 1.00 11 -46.88 1 6 1 52 299.402 5 ↓
Hi High (pH 8-9.5) 1.00 8.74 -18.7 0 6 0 51 298.394 5 ↓
Lo Low (pH 4.5-6) 1.00 11.69 -107.77 2 6 2 54 300.41 5 ↓

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

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