UCSF

ZINC39849645

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 No

Popular Name: (2R)-2-(3-bromophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(3-pyridylmethyl)-2H-pyrrol-5-one (2R)-2-(3-bromophenyl)-3-[(E)-3-…

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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) 2.78 9.66 -64.72 0 6 -1 86 464.295 6 ↓
Lo Low (pH 4.5-6) 2.78 8.77 -17.69 1 6 0 84 465.303 6 ↓

Activity (Go SEA)

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