UCSF

ZINC56828473

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2011 31 Yes

Popular Name: (2S)-2-methyl-4-[2-(4-pyridyl)ethyl]-1-[4-[(1S)-1,2,2,2-tetrafluoro-1-methyl-ethyl]phenyl]sulfonyl-p (2S)-2-methyl-4-[2-(4-pyridyl)et…

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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) 3.61 7.51 -12.28 0 5 0 54 459.509 7 ↓
Mid Mid (pH 6-8) 3.61 7.97 -41.8 1 5 1 55 460.517 7 ↓
Lo Low (pH 4.5-6) 3.61 10.21 -109.79 2 5 2 56 461.525 7 ↓
Lo Low (pH 4.5-6) 3.61 9.75 -57.76 1 5 1 55 460.517 7 ↓

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Rings

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

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