UCSF

ZINC66955657

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 27 Yes

Popular Name: 3-[2-[(1S)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-1-propyl-1-[2-(2-pyridyl)ethyl]urea 3-[2-[(1S)-2-cyano-1-methyl-ethy…

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Vendors

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) 3.41 11.95 -18.55 1 5 0 69 382.533 9 ↓
Lo Low (pH 4.5-6) 3.41 12.31 -42.7 2 5 1 70 383.541 9 ↓

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

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