UCSF

ZINC37718251

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 21 No

Popular Name: 4-chloro-3-nitro-N-[2-(3-pyridyl)ethyl]benzamide 4-chloro-3-nitro-N-[2-(3-pyridyl…

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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) 2.26 6.68 -18.67 1 6 0 88 305.721 5 ↓
Lo Low (pH 4.5-6) 2.26 7.15 -50.15 2 6 1 89 306.729 5 ↓

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

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