UCSF

ZINC39500453

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 32 Yes

Popular Name: 1-[1-[(2S)-2,3-dihydro-1,3-benzoxazol-2-yl]-4-piperidyl]-N-[2-[(2S)-4-methyl-2H-imidazol-2-yl]ethyl] 1-[1-[(2S)-2,3-dihydro-1,3-benzo…

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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) 2.24 1.66 -48.56 3 8 1 83 439.584 6 ↓
Lo Low (pH 4.5-6) 2.24 2.77 -96.13 4 8 2 84 440.592 6 ↓

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

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