UCSF

ZINC69928926

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 30 No

Popular Name: [2-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]-2-oxo-ethyl] [2-[[(1S)-2-methyl-1-(2-thienyl)…

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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) 2.72 8.47 -13.82 2 8 0 105 429.498 8 ↓
Mid Mid (pH 6-8) 2.91 6.74 -45.43 1 8 -1 111 428.49 8 ↓

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

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