UCSF

ZINC20130477

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 26 No

Popular Name: 4-[(5-bromo-2-hydroxy-3-nitro-phenyl)-(3-hydroxy-5-methyl-2H-pyrazol-4-yl)methyl]-5-methyl-2H-pyrazo 4-[(5-bromo-2-hydroxy-3-nitro-ph…

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Download: MOL2 SDF SMILES Flexibase

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) 1.92 0.53 -48.86 4 10 -1 166 423.203 4 ↓
Hi High (pH 8-9.5) 1.92 1.55 -100.94 3 10 -2 169 422.195 4 ↓
Mid Mid (pH 6-8) 2.37 -1.75 -127.22 3 10 -2 170 422.195 4 ↓
Mid Mid (pH 6-8) 2.37 -3.49 -14.9 5 10 0 164 424.211 4 ↓
Mid Mid (pH 6-8) 1.92 -0.91 -15.97 5 10 0 164 424.211 4 ↓

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