UCSF

ZINC10658655

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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 -7.56 -13.25 6 7 0 129 347.473 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.46 -27.45 7 7 1 130 348.481 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.4 -30.1 7 7 1 130 348.481 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.4 -31 7 7 1 130 348.481 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.29 -76.01 8 7 2 132 349.489 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.24 -76.62 8 7 2 132 349.489 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.24 -95.35 8 7 2 132 349.489 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.13 -165.58 9 7 3 133 350.497 3 ↓
Lo Low (pH 4.5-6) 2.55 -7.08 -169.76 9 7 3 133 350.497 3 ↓

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