UCSF

ZINC12006311

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 31 No

Popular Name: 4-chloro-N-[5-(2-furyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-nitro-benzamide 4-chloro-N-[5-(2-furyl)-2-(4-met…

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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) 2.76 10.21 -42.06 2 11 0 152 440.803 5 ↓
Mid Mid (pH 6-8) 3.22 9.88 -54.18 1 11 -1 155 439.795 5 ↓
Mid Mid (pH 6-8) 2.76 11.05 -20.46 2 11 0 152 440.803 5 ↓

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

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