UCSF

ZINC27558575

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 23 Yes

Popular Name: 2-[[[(1S)-1-(4-fluorophenyl)ethyl]-methyl-amino]methyl]-7-methyl-[1,3,4]thiadiazolo[2,3-b]pyrimidin- 2-[[[(1S)-1-(4-fluorophenyl)ethy…

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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) 2.33 9.03 -57.9 1 5 1 52 333.412 4 ↓
Hi High (pH 8-9.5) 2.33 7.1 -17.86 0 5 0 51 332.404 4 ↓
Lo Low (pH 4.5-6) 2.33 9.61 -102.32 2 5 2 53 334.42 4 ↓

Activity (Go SEA)

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