UCSF

ZINC71576181

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 26 Yes

Popular Name: (1S)-1-[1-(2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-4-piperidyl]-2-phenyl-ethanol (1S)-1-[1-(2-methyl-5,6,7,8-tetr…

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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) 2.24 8.03 -52.52 3 5 1 66 353.49 4 ↓
Hi High (pH 8-9.5) 2.24 7.04 -31.96 3 5 1 63 353.49 4 ↓
Hi High (pH 8-9.5) 2.24 6.67 -9.17 2 5 0 61 352.482 4 ↓
Lo Low (pH 4.5-6) 2.24 8.41 -113.87 4 5 2 67 354.498 4 ↓

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

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