UCSF

ZINC38733530

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 32 Yes

Popular Name: 2-[(1R,4R)-2-(4-chlorophthalazin-1-yl)-2,5-diazabicyclo[2.2.1]heptan-5-yl]-3-methyl-6-pyrimidin-4-yl 2-[(1R,4R)-2-(4-chlorophthalazin…

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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) 2.21 11.61 -22.51 0 9 0 93 446.902 3 ↓
Mid Mid (pH 6-8) 2.21 11.75 -40.04 1 9 1 94 447.91 3 ↓
Mid Mid (pH 6-8) 2.21 12.4 -43.39 1 9 1 94 447.91 3 ↓

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

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