UCSF

ZINC06878756

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2006 32 Yes

Popular Name: N-benzyl-9-chloro-3-(4-chlorophenyl)-N-methyl-5-(trifluoromethyl)-2,6,7-triazabicyclo[4.3.0]nona-7,9 N-benzyl-9-chloro-3-(4-chlorophe…

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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) 5.35 11.83 -14.15 1 5 0 50 483.321 5 ↓
Mid Mid (pH 6-8) 5.53 12.14 -35.99 2 5 1 55 484.329 5 ↓

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

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