UCSF

ZINC14010744

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 29 No

Popular Name: (5E)-1-(4-bromophenyl)-5-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-tr (5E)-1-(4-bromophenyl)-5-[(2-hyd…

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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) 2.36 4.64 -95.16 0 10 -2 153 460.196 4 ↓
Lo Low (pH 4.5-6) 1.90 5.55 -13.67 2 10 0 147 462.212 4 ↓
Lo Low (pH 4.5-6) 2.36 3.82 -46.25 1 10 -1 150 461.204 4 ↓

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

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