UCSF

ZINC65532107

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 No

Popular Name: (4aS,7aR)-2-[[[2-(dimethylamino)-6-ethyl-pyrimidin-4-yl]-methyl-amino]methyl]-4a,7a-dihydro-3H-thien (4aS,7aR)-2-[[[2-(dimethylamino)…

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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) 1.64 9.29 -31.93 2 7 1 75 347.468 5 ↓
Hi High (pH 8-9.5) 1.64 8.99 -12.81 1 7 0 74 346.46 5 ↓

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

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