UCSF

ZINC36119205

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 32 Yes

Popular Name: N-(3-chloro-4-methoxy-phenyl)-4-[[(2-morpholino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]cyclohexaneca N-(3-chloro-4-methoxy-phenyl)-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) -0.22 2.35 -25.38 2 8 0 106 461.946 5 ↓
Ref Reference (pH 7) -0.22 3.44 -21.03 2 8 0 106 461.946 5 ↓
Mid Mid (pH 6-8) -0.22 1.57 -41.21 3 8 1 103 462.954 5 ↓
Mid Mid (pH 6-8) -0.22 2.67 -38.44 3 8 1 103 462.954 5 ↓

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Rings

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

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