UCSF

ZINC98044408

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2014 20 No

Popular Name: 1,2-Bis[(2S,5S)-2,5-dimethylphospholano]benzene(cyclooctadiene)rhodium(I)trifluoromethanesulfonate 1,2-Bis[(2S,5S)-2,5-dimethylphos…

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CAS Number: 136705-75-4

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) 3.13 12.28 -30.79 0 0 1 0 307.378 2 ↓
Mid Mid (pH 6-8) 3.13 11.93 -5.12 0 0 0 0 306.37 2 ↓
Mid Mid (pH 6-8) 3.13 12.44 -91.32 0 0 2 0 308.386 2 ↓

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

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