UCSF

ZINC09251959

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 30 Yes

Popular Name: 2-[8-(4-ethylphenyl)-5-methyl-2-oxo-3,4,6,7-tetrazabicyclo[4.3.0]nona-4,7,9-trien-3-yl]-N-(3-pyridyl 2-[8-(4-ethylphenyl)-5-methyl-2-…

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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) 1.52 -0.37 -16.96 1 8 0 94 402.458 6 ↓
Lo Low (pH 4.5-6) 1.52 -0.26 -47.58 2 8 1 95 403.466 6 ↓

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

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