UCSF

ZINC69977229

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 24 No

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[3-(methylsulfanylmethyl)phenyl]methanon [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) 2.02 7.99 -15.07 1 5 0 58 342.468 5 ↓
Mid Mid (pH 6-8) 2.02 8.17 -38.69 2 5 1 59 343.476 5 ↓
Mid Mid (pH 6-8) 2.02 8.1 -37.5 2 5 1 59 343.476 5 ↓

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

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