UCSF

ZINC36119081

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 Yes

Popular Name: 3-[[4-(4-ethylpiperazine-1-carbonyl)cyclohexyl]methylamino]-4-(4-methyl-1-piperidyl)cyclobut-3-ene-1 3-[[4-(4-ethylpiperazine-1-carbo…

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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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) -0.76 6.42 -83.29 3 7 2 81 432.609 4 ↓
Hi High (pH 8-9.5) -0.76 5.08 -20.31 1 7 0 82 430.593 4 ↓
Mid Mid (pH 6-8) -0.76 4.21 -36.19 2 7 1 79 431.601 4 ↓
Mid Mid (pH 6-8) -0.76 7.19 -55.44 2 7 1 83 431.601 4 ↓

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Rings

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

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