UCSF

ZINC17052441

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 22 No

Popular Name: (9S)-2-methylsulfanyl-9-(4-pyridyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (9S)-2-methylsulfanyl-9-(4-pyrid…

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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) 1.35 8.79 -17.23 1 6 0 73 313.386 2 ↓
Hi High (pH 8-9.5) 1.53 8.63 -39.71 0 6 -1 74 312.378 2 ↓
Lo Low (pH 4.5-6) 1.35 9.06 -39.45 2 6 1 74 314.394 2 ↓

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