UCSF

ZINC65527462

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 No

Popular Name: N-methyl-N-[[(3R,5R)-4-methyl-5-(4-piperidylmethyl)-1,2,4-triazolidin-3-yl]methyl]-2-(3H-pyrazol-4-y N-methyl-N-[[(3R,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) 0.51 0.66 -97.04 5 7 2 73 323.489 7 ↓
Hi High (pH 8-9.5) 0.51 -0.01 -45.34 4 7 1 72 322.481 7 ↓
Lo Low (pH 4.5-6) 0.51 2.29 -101.81 5 7 2 73 323.489 7 ↓
Lo Low (pH 4.5-6) 0.51 3 -196.73 6 7 3 74 324.497 7 ↓

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

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