UCSF

ZINC47387023

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2010 25 No

Popular Name: (4-methyl-3-nitro-phenyl)-[4-(morpholinomethyl)-1-piperidyl]methanone (4-methyl-3-nitro-phenyl)-[4-(mo…

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Download: MOL2 SDF SMILES Flexibase

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) 1.89 7.13 -15.24 0 7 0 79 347.415 4 ↓
Mid Mid (pH 6-8) 1.89 9.13 -56.7 1 7 1 80 348.423 4 ↓

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Rings

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

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