UCSF

ZINC39490518

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 32 Yes

Popular Name: (2S,4R,5R)-4-[[(2R)-2-[(2R)-5-fluoro-2H-benzimidazol-2-yl]-1-piperidyl]methyl]-2-(2-fluoro-5-methoxy (2S,4R,5R)-4-[[(2R)-2-[(2R)-5-fl…

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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) 4.27 7.58 -43.27 3 6 1 64 443.518 5 ↓
Hi High (pH 8-9.5) 4.27 5.15 -10.76 2 6 0 62 442.51 5 ↓
Lo Low (pH 4.5-6) 4.27 7.93 -110.59 4 6 2 65 444.526 5 ↓

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

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