UCSF

ZINC66156924

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 35 Yes

Popular Name: (2S)-N-(2-amino-2-oxo-ethyl)-1-[[3-[7-chloro-1-(tetrahydropyran-4-ylmethyl)indol-3-yl]-1,2,4-thiadia (2S)-N-(2-amino-2-oxo-ethyl)-1-[…

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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) 1.82 6.74 -48.41 4 9 1 117 518.063 8 ↓
Mid Mid (pH 6-8) 1.82 4.85 -17.25 3 9 0 115 517.055 8 ↓

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

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