UCSF

ZINC09421755

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 27 Yes

Popular Name: 3-[2-(1H-indol-3-yl)ethyl]-8-methyl-2-(2-pyridyl)-3,6,7-triazabicyclo[3.3.0]octa-7,9-dien-4-one 3-[2-(1H-indol-3-yl)ethyl]-8-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) 2.34 8.5 -14.36 2 6 0 78 357.417 4 ↓
Lo Low (pH 4.5-6) 2.34 9.27 -46.61 3 6 1 79 358.425 4 ↓

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

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