UCSF

ZINC19536846

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 15 Yes

Popular Name: 1-[(3-chlorophenyl)methyl]-4-methyl-piperazine 1-[(3-chlorophenyl)methyl]-4-met…

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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) 2.29 6.26 -34.44 1 2 1 8 225.743 2 ↓
Mid Mid (pH 6-8) 2.29 6.19 -37.5 1 2 1 8 225.743 2 ↓
Mid Mid (pH 6-8) 2.29 3.79 -2.49 0 2 0 6 224.735 2 ↓

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