UCSF

ZINC65164812

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 27 Yes

Popular Name: 1-ethyl-3-[2-[4-[[(4R)-4H-imidazol-4-yl]sulfonyl]piperazin-1-yl]ethyl]pyrrolo[2,3-b]pyridine 1-ethyl-3-[2-[4-[[(4R)-4H-imidaz…

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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) 0.92 5.82 -20.23 1 8 0 87 388.497 6 ↓
Hi High (pH 8-9.5) 0.92 5.33 -44.1 0 8 -1 85 387.489 6 ↓
Mid Mid (pH 6-8) 0.92 5.83 -16.78 1 8 0 87 388.497 6 ↓
Mid Mid (pH 6-8) 0.92 8.04 -60.21 2 8 1 88 389.505 6 ↓
Mid Mid (pH 6-8) 0.92 8.04 -60.15 2 8 1 88 389.505 6 ↓

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

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