UCSF

ZINC08742752

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 23 No

Popular Name: 4-(4-chlorophenyl)-8-methyl-2-(4-pyridyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,8-triene 4-(4-chlorophenyl)-8-methyl-2-(4…

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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) 2.58 11.53 -11.15 1 5 0 59 323.787 2 ↓
Ref Reference (pH 7) 2.57 10.4 -14.76 0 5 0 56 323.787 2 ↓
Mid Mid (pH 6-8) 2.57 10.87 -33.21 1 5 1 57 324.795 2 ↓
Mid Mid (pH 6-8) 2.58 11.46 -33.14 2 5 1 60 324.795 2 ↓
Lo Low (pH 4.5-6) 2.58 0.25 -39.37 2 5 1 60 324.795 2 ↓
Lo Low (pH 4.5-6) 2.57 10.7 -40.78 1 5 1 58 324.795 2 ↓
Lo Low (pH 4.5-6) 2.57 11.32 -87.45 2 5 2 58 325.803 2 ↓

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