UCSF

ZINC02347478

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 35 No

Popular Name: (E)-N-[(7S)-5,7-diphenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)acrylami (E)-N-[(7S)-5,7-diphenyl-6,7-dih…

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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) 4.88 17.5 -28.69 1 9 0 118 464.485 6 ↓
Hi High (pH 8-9.5) 4.89 18.5 -22.16 2 9 0 121 464.485 6 ↓

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

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