UCSF

ZINC20242859

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 Yes

Popular Name: ethyl-oxo-[4-(2-pyridyl)piperazine-1-carbonyl]BLAHone ethyl-oxo-[4-(2-pyridyl)piperazi…

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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) 2.63 9.27 -66.11 1 7 1 75 461.567 3 ↓
Mid Mid (pH 6-8) 2.63 8.99 -33.93 0 7 0 74 460.559 3 ↓

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Rings

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

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