UCSF

ZINC65594057

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 20 Yes

Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanamine N-[(3,5-dimethyl-1H-pyrazol-4-yl…

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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) 1.04 5.78 -31.62 3 5 1 60 274.392 5 ↓
Hi High (pH 8-9.5) 1.04 5.36 -11.24 2 5 0 59 273.384 5 ↓
Hi High (pH 8-9.5) 1.04 6.73 -43.23 3 5 1 63 274.392 5 ↓
Lo Low (pH 4.5-6) 1.04 7.14 -101.1 4 5 2 64 275.4 5 ↓

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

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