UCSF

ZINC65491719

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 Yes

Popular Name: (2S,6S)-2-methyl-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-6-phenyl-morpholine (2S,6S)-2-methyl-4-(6-methyl-7,8…

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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) 2.26 10.77 -43.4 1 5 1 43 325.436 2 ↓
Mid Mid (pH 6-8) 2.26 11.21 -104.1 2 5 2 44 326.444 2 ↓
Mid Mid (pH 6-8) 2.26 8.77 -33.54 1 5 1 43 325.436 2 ↓
Mid Mid (pH 6-8) 2.26 8.35 -5.47 0 5 0 41 324.428 2 ↓

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

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