UCSF

ZINC04170138

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 20 Yes

Popular Name: 2-(4-dimethylaminophenyl)-9-methyl-5,7,8-triazabicyclo[4.3.0]nona-8,10-dien-4-one 2-(4-dimethylaminophenyl)-9-meth…

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Download: MOL2 SDF SMILES Flexibase

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) 1.57 5.16 -7.54 2 5 0 61 270.336 2 ↓
Ref Reference (pH 7) 1.75 4.29 -20.4 2 5 0 64 270.336 2 ↓
Hi High (pH 8-9.5) 1.75 4.11 -48.04 1 5 -1 63 269.328 2 ↓
Lo Low (pH 4.5-6) 1.75 5.05 -33.25 3 5 0 65 271.344 2 ↓

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Rings

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