UCSF

ZINC39849542

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Substance Information

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

Popular Name: (2S)-2-(3-bromophenyl)-1-(2-diethylaminoethyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2H-pyrrol-5 (2S)-2-(3-bromophenyl)-1-(2-diet…

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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) 3.40 11.65 -65.44 1 6 0 78 473.367 9 ↓
Lo Low (pH 4.5-6) 3.40 10.72 -44.44 2 6 1 75 474.375 9 ↓

Activity (Go SEA)

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