UCSF

ZINC36119086

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 Yes

Popular Name: 3-(4-methyl-1-piperidyl)-4-[[4-(piperidine-1-carbonyl)cyclohexyl]methylamino]cyclobut-3-ene-1,2-dion 3-(4-methyl-1-piperidyl)-4-[[4-(…

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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) -0.12 6.1 -34.88 2 6 1 76 402.559 3 ↓
Hi High (pH 8-9.5) -0.12 6.58 -19.55 1 6 0 79 401.551 3 ↓

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

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