UCSF

ZINC22684669

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 28 Yes

Popular Name: N-[(1S)-3-[[(2R)-2-dimethylamino-2-(4-ethylphenyl)ethyl]amino]-1-methyl-3-oxo-propyl]benzamide N-[(1S)-3-[[(2R)-2-dimethylamino…

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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) 4.59 10.69 -59.41 3 5 1 63 382.528 9 ↓
Hi High (pH 8-9.5) 4.59 8.44 -20.78 2 5 0 61 381.52 9 ↓

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

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