UCSF

ZINC69929555

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 29 Yes

Popular Name: 3-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]methyl]-2H-benzo[e][1,2,4]thiadiazine 3-[[4-(2-isopropyl-6-methyl-pyri…

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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) 2.22 6.7 -42.32 2 8 1 92 415.543 4 ↓
Hi High (pH 8-9.5) 2.22 5.83 -40.46 0 8 -1 93 413.527 4 ↓
Mid Mid (pH 6-8) 2.22 6.22 -24.4 1 8 0 91 414.535 4 ↓

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

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