UCSF

ZINC52935114

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 24 Yes

Popular Name: [4-[(6-chloro-3-pyridyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone [4-[(6-chloro-3-pyridyl)methyl]p…

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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) 3.24 7.2 -12.82 0 4 0 36 384.694 3 ↓
Lo Low (pH 4.5-6) 3.24 9.46 -58.06 1 4 1 38 385.702 3 ↓

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

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