UCSF

ZINC69743714

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 No

Popular Name: (2R)-2-isopentyloxy-1-[(3R)-3-(4-methyl-5-sulfanyl-1,2,4-triazol-3-yl)-1-piperidyl]propan-1-one (2R)-2-isopentyloxy-1-[(3R)-3-(4…

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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) 1.27 9.51 -20.47 1 6 0 63 340.493 6 ↓
Mid Mid (pH 6-8) 2.00 9.46 -54.44 0 6 -1 60 339.485 6 ↓

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

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