UCSF

ZINC09422114

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 26 No

Popular Name: 8,9-dimethyl-3-(2-pyridylmethyl)-7-(3-pyridylmethyl)-3,5,7-triazabicyclo[4.3.0]nona-4,8,10-trien-2-i 8,9-dimethyl-3-(2-pyridylmethyl)…

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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) -1.86 11.58 -31.68 2 6 1 74 345.43 4 ↓
Lo Low (pH 4.5-6) 0.42 0.19 -76.96 3 6 2 75 346.438 4 ↓
Lo Low (pH 4.5-6) 0.42 0.49 -156.29 4 6 3 76 347.446 4 ↓
Lo Low (pH 4.5-6) -1.86 11.93 -95.93 3 6 2 75 346.438 4 ↓

Activity (Go SEA)

Rings

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

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