UCSF

ZINC62580944

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 28 Yes

Popular Name: 2-[[(2S)-1-butyl-2-piperidyl]methylamino]-7-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 2-[[(2S)-1-butyl-2-piperidyl]met…

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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) 4.47 12.03 -53.28 2 6 1 64 398.556 7 ↓
Hi High (pH 8-9.5) 4.47 10.12 -13.71 1 6 0 63 397.548 7 ↓
Lo Low (pH 4.5-6) 4.47 12.41 -91.94 3 6 2 65 399.564 7 ↓

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

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