UCSF

ZINC63270226

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 29 Yes

Popular Name: (3R,4S)-3-[2-[(7aR)-4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxo-ethyl]-4-methyl-7-(2-methyl (3R,4S)-3-[2-[(7aR)-4,6,7,7a-tet…

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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) 2.72 11.06 -55.31 2 7 1 86 396.467 5 ↓
Mid Mid (pH 6-8) 2.72 10.6 -23.87 1 7 0 85 395.459 5 ↓

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

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