UCSF

ZINC69848367

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 No

Popular Name: 3-[[4-(5-nitro-2-pyridyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole 3-[[4-(5-nitro-2-pyridyl)piperaz…

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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) 2.46 7.58 -11.49 0 8 0 91 343.387 4 ↓
Mid Mid (pH 6-8) 2.46 9.79 -52.62 1 8 1 92 344.395 4 ↓

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

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