UCSF

ZINC09422211

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 22 No

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

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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) -2.97 6.85 -36.91 3 6 1 81 298.37 4 ↓
Lo Low (pH 4.5-6) -2.97 7.31 -92.57 4 6 2 82 299.378 4 ↓

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

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