UCSF

ZINC36119329

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 34 Yes

Popular Name: 3-(1-piperidyl)-4-[[4-[4-(1-piperidyl)piperidine-1-carbonyl]cyclohexyl]methylamino]cyclobut-3-ene-1, 3-(1-piperidyl)-4-[[4-[4-(1-pipe…

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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) 0.05 8.08 -73.61 3 7 2 81 472.674 4 ↓
Hi High (pH 8-9.5) 0.05 8.86 -55.02 2 7 1 83 471.666 4 ↓

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

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