UCSF

ZINC71575210

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 29 Yes

Popular Name: [(3R)-1-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-4-piperidyl]-3-piperidyl]-pyrrolidin-1-yl-methanone [(3R)-1-[1-(7-methylthieno[3,2-d…

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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) 2.85 11.78 -48.02 1 6 1 54 414.599 3 ↓
Hi High (pH 8-9.5) 2.85 9.67 -12.84 0 6 0 53 413.591 3 ↓
Lo Low (pH 4.5-6) 2.85 12.23 -85.98 2 6 2 55 415.607 3 ↓

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

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