UCSF

ZINC09348115

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 32 No

Popular Name: N-[2-(4-chlorophenyl)-4-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,8-trien-8-yl]-4-methyl-benzamid N-[2-(4-chlorophenyl)-4-phenyl-1…

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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) 5.43 17.24 -21.47 1 6 0 72 441.922 4 ↓
Hi High (pH 8-9.5) 5.44 17.5 -52.09 1 6 -1 73 440.914 4 ↓
Hi High (pH 8-9.5) 5.44 17.75 -15.32 2 6 0 75 441.922 4 ↓
Mid Mid (pH 6-8) 5.44 17.57 -41.73 2 6 1 74 442.93 4 ↓

Activity (Go SEA)

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