UCSF

ZINC67742091

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 26 Yes

Popular Name: 2-(2-dimethylaminoethyl)-4-ethyl-5-[(3S)-1-(2-pyridylmethyl)-3-piperidyl]-1,2,4-triazol-3-one 2-(2-dimethylaminoethyl)-4-ethyl…

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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) 0.31 8.4 -40.04 1 7 1 60 359.498 7 ↓
Hi High (pH 8-9.5) 0.31 5.94 -11.61 0 7 0 59 358.49 7 ↓
Mid Mid (pH 6-8) 0.31 10.63 -94.44 2 7 2 62 360.506 7 ↓

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

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