UCSF

ZINC04889345

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 29 No

Popular Name: 3-(2-methoxyphenyl)-N-(3-oxo-5-phenyl-2,6,7,9-tetrazabicyclo[4.3.0]nona-7,9-dien-8-yl)-prop-2-enamid 3-(2-methoxyphenyl)-N-(3-oxo-5-p…

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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) 2.35 11.36 -19.25 2 8 0 98 389.415 5 ↓
Hi High (pH 8-9.5) 2.72 6.81 -70.33 1 8 -1 108 388.407 5 ↓
Hi High (pH 8-9.5) 2.54 9.51 -59.37 1 8 -1 104 388.407 5 ↓
Mid Mid (pH 6-8) 2.54 9.38 -61.98 1 8 -1 104 388.407 5 ↓
Mid Mid (pH 6-8) 2.53 9.86 -59.53 1 8 -1 100 388.407 5 ↓

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