UCSF

ZINC38596541

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 No

Popular Name: 3-[(E)-(5-bromo-2-hydroxy-phenyl)methyleneamino]-8-methyl-pyrimido[5,4-b]indole-2,4-dione 3-[(E)-(5-bromo-2-hydroxy-phenyl…

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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) 3.58 4.3 -16.89 1 7 0 97 411.215 2 ↓
Hi High (pH 8-9.5) 3.58 5.07 -60.66 0 7 -1 100 410.207 2 ↓

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

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