UCSF

ZINC09560593

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 37 Yes

Popular Name: 7-amino-N'-cyclohexyl-N-(2,4-dimethylphenyl)-3-methyl-5-(3-pyridyl)-9-thia-2-azabicyclo[4.3.0]nona-2 7-amino-N'-cyclohexyl-N-(2,4-dim…

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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) 5.49 -4.46 -10.78 4 7 0 110 513.667 5 ↓
Lo Low (pH 4.5-6) 5.49 -4.35 -43.06 5 7 1 111 514.675 5 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.