UCSF

ZINC09560590

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-(2,4-dimethylphenyl)-N'-(2-furylmethyl)-3-methyl-5-(3-pyridyl)-9-thia-2-azabicyclo[4.3.0]n 7-amino-N-(2,4-dimethylphenyl)-N…

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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) 4.24 -3.76 -11.51 4 8 0 123 511.607 6 ↓
Lo Low (pH 4.5-6) 4.24 -3.65 -44.74 5 8 1 124 512.615 6 ↓

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Rings

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

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