UCSF

ZINC69099860

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 30 Yes

Popular Name: 4-tert-butyl-N-[(1S)-2-methyl-1-[(2-methyl-2-morpholino-propyl)carbamoyl]propyl]benzamide 4-tert-butyl-N-[(1S)-2-methyl-1-…

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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) 3.74 6.59 -8.03 2 6 0 71 417.594 8 ↓
Mid Mid (pH 6-8) 3.74 8.93 -41.87 3 6 1 72 418.602 8 ↓

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

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