UCSF

ZINC09560591

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 38 Yes

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

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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) 4.98 -4.34 -13.27 4 7 0 110 521.646 6 ↓
Lo Low (pH 4.5-6) 4.98 -4.24 -43.36 5 7 1 111 522.654 6 ↓

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Rings

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

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