UCSF

ZINC29144128

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 34 No

Popular Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)ac 2-[4-(2-isopropyl-6-methyl-pyrim…

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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) 1.80 6.46 -33.81 3 12 1 147 470.51 6 ↓
Mid Mid (pH 6-8) 1.80 5.98 -13.78 2 12 0 146 469.502 6 ↓
Lo Low (pH 4.5-6) 1.80 8.64 -99.55 4 12 2 148 471.518 6 ↓

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

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