UCSF

ZINC10658656

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2007 23 Yes

Popular Name: 2-[1-(5-amino-7,8-dimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-3-yl)ethylsulfanyl]pyr 2-[1-(5-amino-7,8-dimethyl-9-thi…

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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) 2.55 -7.55 -13.23 6 7 0 129 347.473 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.45 -27.43 7 7 1 130 348.481 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.39 -30.12 7 7 1 130 348.481 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.39 -31.03 7 7 1 130 348.481 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.28 -75.99 8 7 2 132 349.489 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.23 -76.68 8 7 2 132 349.489 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.23 -95.17 8 7 2 132 349.489 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.13 -165.42 9 7 3 133 350.497 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.07 -169.62 9 7 3 133 350.497 3 ↓

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