UCSF

ZINC65526004

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 No

Popular Name: (3aR)-N-(2-dimethylaminoethyl)-5-[(5R)-5H-purin-6-yl]-1,3a,4,6,7,8-hexahydropyrazolo[1,5-a][1,4]diaz (3aR)-N-(2-dimethylaminoethyl)-5…

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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) -0.86 6.17 -51.38 3 10 1 101 372.457 5 ↓
Hi High (pH 8-9.5) -0.86 3.69 -14.1 2 10 0 100 371.449 5 ↓
Mid Mid (pH 6-8) -0.86 6.44 -91.87 4 10 2 103 373.465 5 ↓

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

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