UCSF

ZINC53925653

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 Yes

Popular Name: (2R)-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]cycloheptanone (2R)-2-[[4-(2-pyridyl)piperazin-…

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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) 2.49 8.05 -31.69 1 4 1 38 288.415 3 ↓
Mid Mid (pH 6-8) 2.49 9.79 -39.18 1 4 1 38 288.415 3 ↓
Mid Mid (pH 6-8) 2.49 7.74 -7.62 0 4 0 36 287.407 3 ↓
Lo Low (pH 4.5-6) 2.49 10.1 -94.06 2 4 2 39 289.423 3 ↓

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

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