UCSF

ZINC65498089

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 No

Popular Name: (7aR)-5-[[4-[[(3S,5R)-4-methyl-5-methylsulfanyl-1,2,4-triazolidin-3-yl]methyl]-1-piperidyl]methyl]-7 (7aR)-5-[[4-[[(3S,5R)-4-methyl-5…

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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) 2.48 2.09 -5.3 2 5 0 43 359.543 5 ↓
Mid Mid (pH 6-8) 2.48 4.34 -44.63 3 5 1 44 360.551 5 ↓

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

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