UCSF

ZINC98369921

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2015 23 Yes

Popular Name: 3-[(2S,5S)-2,5-dimethylphospholan-1-yl]-2-[(2R,5S)-2,5-dimethylphospholan-1-yl]benzothiophene 3-[(2S,5S)-2,5-dimethylphosphola…

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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) 4.19 12.92 -34.34 0 0 1 0 363.467 2 ↓
Mid Mid (pH 6-8) 4.19 12.38 -7.21 0 0 0 0 362.459 2 ↓
Lo Low (pH 4.5-6) 4.19 13.29 -100.07 0 0 2 0 364.475 2 ↓

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

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