UCSF

ZINC69893160

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 Yes

Popular Name: [(2R)-2,3-dihydrobenzofuran-2-yl]-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methano [(2R)-2,3-dihydrobenzofuran-2-yl…

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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) 1.97 7.3 -44.31 2 6 1 69 325.392 3 ↓
Mid Mid (pH 6-8) 1.97 7.18 -18.77 1 6 0 67 324.384 3 ↓
Mid Mid (pH 6-8) 1.97 7.36 -45.82 2 6 1 69 325.392 3 ↓

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

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