UCSF

ZINC48927528

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 Yes

Popular Name: N-[(1R)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-1-methyl-ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carb N-[(1R)-2-[(3S,5R)-3,5-dimethyl-…

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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) 0.32 3.26 -46.19 4 7 1 95 282.368 4 ↓
Hi High (pH 8-9.5) 0.84 -1.64 -89.01 2 7 -1 104 280.352 4 ↓
Mid Mid (pH 6-8) 0.78 0.73 -63.08 3 7 0 98 281.36 4 ↓
Lo Low (pH 4.5-6) 0.78 1.82 -70.02 4 7 1 99 282.368 4 ↓

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

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