UCSF

ZINC67447022

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 26 No

Popular Name: (3aS,6aR)-5-(4-amino-5-methyl-pyrimidin-2-yl)-3-(3-morpholinopropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4 (3aS,6aR)-5-(4-amino-5-methyl-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) 0.73 5.5 -43.26 3 9 1 98 363.442 5 ↓
Mid Mid (pH 6-8) 0.73 5.1 -16.76 2 9 0 97 362.434 5 ↓
Mid Mid (pH 6-8) 0.73 7.76 -90.5 4 9 2 100 364.45 5 ↓

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

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