UCSF

ZINC69492721

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 Yes

Popular Name: (2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)p (2S)-1-[(2S,6R)-2,6-dimethylmorp…

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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) 0.12 3 -47.1 2 6 1 63 321.445 4 ↓
Hi High (pH 8-9.5) 0.12 0.72 -8.66 1 6 0 62 320.437 4 ↓
Lo Low (pH 4.5-6) 0.12 5.34 -119.37 3 6 2 64 322.453 4 ↓
Lo Low (pH 4.5-6) 0.12 3.06 -44.88 2 6 1 63 321.445 4 ↓

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Rings

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

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