UCSF

ZINC67513479

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 No

Popular Name: (3aS,6aR)-5-[6-(dimethylamino)pyrimidin-4-yl]-3-(3-morpholinopropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4 (3aS,6aR)-5-[6-(dimethylamino)py…

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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) 0.41 6.43 -17.23 0 9 0 74 376.461 6 ↓
Mid Mid (pH 6-8) 0.41 8.68 -53.75 1 9 1 75 377.469 6 ↓
Lo Low (pH 4.5-6) 0.41 9.11 -95.84 2 9 2 77 378.477 6 ↓

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

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