UCSF

ZINC69847614

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 Yes

Popular Name: 3-[[[2-methyl-2-[[(1S)-1-phenylethyl]amino]propyl]amino]methyl]benzamide 3-[[[2-methyl-2-[[(1S)-1-phenyle…

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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) 2.84 5.43 -42.58 5 4 1 72 326.464 8 ↓
Mid Mid (pH 6-8) 2.84 5.94 -45.74 5 4 1 72 326.464 8 ↓
Mid Mid (pH 6-8) 2.84 6.58 -130.35 6 4 2 76 327.472 8 ↓

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Rings

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

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