UCSF

ZINC65523363

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 23 Yes

Popular Name: (2S)-1-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-morpholino-propan-2-ol (2S)-1-[4-(dimethylamino)-7,8-di…

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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) -0.30 3.34 -47.77 2 7 1 66 322.433 5 ↓
Hi High (pH 8-9.5) -0.30 1.06 -8.81 1 7 0 65 321.425 5 ↓
Lo Low (pH 4.5-6) -0.30 5.56 -119.77 3 7 2 67 323.441 5 ↓

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

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