UCSF

ZINC64979043

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 33 Yes

Popular Name: 2-[4-[2-(2-methoxyethylamino)-2-oxo-ethyl]piperazin-1-yl]-5-[(4-methylbenzoyl)amino]pyridine-3-carbo 2-[4-[2-(2-methoxyethylamino)-2-…

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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) 1.63 5.92 -73.39 2 10 -1 127 454.507 9 ↓
Mid Mid (pH 6-8) 1.63 6.4 -67.33 3 10 0 128 455.515 9 ↓

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

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