UCSF

ZINC08739872

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 29 Yes

Popular Name: 2-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-9-methyl-5,7,8-triazabicyclo[4.3.0]nona-4,8,10-trien-4-o 2-(3,4-dimethoxyphenyl)-7-(4-met…

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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) 2.70 5.54 -12.89 1 7 0 78 393.443 5 ↓
Ref Reference (pH 7) 2.51 7.99 -11.81 1 7 0 75 393.443 5 ↓
Lo Low (pH 4.5-6) 2.69 8.23 -35.49 2 7 1 79 394.451 5 ↓

Activity (Go SEA)

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