UCSF

ZINC20123596

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 31 No

Popular Name: N-(4-bromophenyl)-2-[4-[2-[(4,4-dimethyl-2,6-dioxo-cyclohexylidene)methylamino]ethyl]piperazin-1-yl] N-(4-bromophenyl)-2-[4-[2-[(4,4-…

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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) 2.93 5.65 -47.15 1 7 -1 88 490.422 7 ↓
Mid Mid (pH 6-8) 2.02 4.47 -16.92 2 7 0 82 491.43 7 ↓
Lo Low (pH 4.5-6) 2.93 6.65 -58.8 2 7 0 89 491.43 7 ↓

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

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