UCSF

ZINC64979063

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 34 Yes

Popular Name: 5-[(3-chlorobenzoyl)amino]-2-[4-[2-(3-methoxypropylamino)-2-oxo-ethyl]piperazin-1-yl]pyridine-3-carb 5-[(3-chlorobenzoyl)amino]-2-[4-…

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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) 2.11 6.51 -74.45 2 10 -1 127 488.952 10 ↓
Mid Mid (pH 6-8) 2.11 6.98 -71.61 3 10 0 128 489.96 10 ↓

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

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