UCSF

ZINC70008839

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 25 Yes

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]m [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 2.68 8.6 -38.91 2 5 1 59 341.41 4 ↓
Mid Mid (pH 6-8) 2.68 8.49 -15.8 1 5 0 58 340.402 4 ↓
Mid Mid (pH 6-8) 2.68 8.67 -40.12 2 5 1 59 341.41 4 ↓

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

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