UCSF

ZINC09422123

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 7,8-dimethyl-9-(3-pyridyl)-N-(4-pyridylmethyl)-2,4,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-amin 7,8-dimethyl-9-(3-pyridyl)-N-(4-…

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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) 1.72 -0.92 -11.08 1 6 0 68 330.395 4 ↓
Lo Low (pH 4.5-6) 1.72 -0.81 -43.92 2 6 1 69 331.403 4 ↓
Lo Low (pH 4.5-6) 1.72 -0.81 -41.75 2 6 1 69 331.403 4 ↓
Lo Low (pH 4.5-6) 1.72 -0.7 -81.05 3 6 2 71 332.411 4 ↓

Activity (Go SEA)

Rings

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

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