UCSF

ZINC15943630

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 31 Yes

Popular Name: (3R)-N-[3-[(3S,5R)-3,5-dimethyl-1-piperidyl]propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[4,5-a]pyrim (3R)-N-[3-[(3S,5R)-3,5-dimethyl-…

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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) 2.70 10.45 -57.71 2 8 1 84 447.629 6 ↓
Lo Low (pH 4.5-6) 2.70 10.85 -84.84 3 8 2 85 448.637 6 ↓
Lo Low (pH 4.5-6) 2.89 8.36 -79.28 3 8 2 89 448.637 6 ↓

Activity (Go SEA)

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