UCSF

ZINC69774205

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: 3-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]-2H-benzo[e][1,2,4]thiadiazine 3-[(4-methyl-2,3-dihydroquinoxal…

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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) 2.46 6.19 -26.96 1 6 0 65 342.424 2 ↓
Mid Mid (pH 6-8) 2.46 5.79 -43.2 0 6 -1 67 341.416 2 ↓
Lo Low (pH 4.5-6) 2.46 6.72 -53.22 2 6 1 66 343.432 2 ↓

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

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