UCSF

ZINC49512506

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 35 No

Popular Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(oxoBLAHyl)oxamide N-[2-[4-(4-chlorophenyl)piperazi…

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Annotations

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Vendors

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) 2.25 9.67 -57.41 3 8 1 86 497.019 6 ↓
Mid Mid (pH 6-8) 2.25 7.47 -13.07 2 8 0 85 496.011 6 ↓

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

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