UCSF

ZINC38494241

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 25 Yes

Popular Name: (3S)-3-amino-4-[[(1R)-2-[[(1R)-2,2-dimethyl-1-phenyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo (3S)-3-amino-4-[[(1R)-2-[[(1R)-2…

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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) 0.52 4.24 -36.68 5 7 0 126 349.431 8 ↓
Mid Mid (pH 6-8) 0.52 3.92 -48.21 4 7 -1 124 348.423 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0736037A1; WO1995017418A2 IBM Patent Data

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