UCSF

ZINC67934081

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 26 Yes

Popular Name: 5-[(3S)-1-[2-(dimethylamino)-6-ethyl-pyrimidin-4-yl]-3-piperidyl]-4-ethyl-2-methyl-1,2,4-triazol-3-o 5-[(3S)-1-[2-(dimethylamino)-6-e…

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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) 1.92 12.3 -13.12 0 8 0 72 359.478 5 ↓
Lo Low (pH 4.5-6) 1.92 12.55 -34.41 1 8 1 73 360.486 5 ↓
Lo Low (pH 4.5-6) 1.92 12.52 -35.74 1 8 1 73 360.486 5 ↓

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

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