UCSF

ZINC04489104

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 25 Yes

Popular Name: 5-imino-4-(1H-indol-3-ylmethylene)-8-(trifluoromethyl)-9-thia-2,6,7-triazabicyclo[4.3.0]nona-1,7-die 5-imino-4-(1H-indol-3-ylmethylen…

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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) 2.36 5.08 -25.25 2 6 0 86 363.324 2 ↓
Lo Low (pH 4.5-6) 2.36 5.23 -47.89 3 6 1 87 364.332 2 ↓
Lo Low (pH 4.5-6) 2.36 5.49 -33.59 3 6 1 87 364.332 2 ↓

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