UCSF

ZINC67539985

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 26 Yes

Popular Name: 2-(2-dimethylaminoethyl)-4-ethyl-5-[(3S)-1-[(4-methyl-1H-imidazol-2-yl)methyl]-3-piperidyl]-1,2,4-tr 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) -0.20 7.56 -43.04 2 8 1 76 362.502 7 ↓
Mid Mid (pH 6-8) -0.20 8.42 -80.96 3 8 2 77 363.51 7 ↓
Lo Low (pH 4.5-6) -0.20 9.77 -98.97 3 8 2 77 363.51 7 ↓

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Rings

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

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