UCSF

ZINC09042785

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 28 No

Popular Name: 5-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 5-(3-bromophenyl)-1-[2-(dimethyl…

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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) 2.30 8.91 -70.72 1 6 0 78 464.385 6 ↓
Hi High (pH 8-9.5) 2.30 6.37 -58.44 0 6 -1 77 463.377 6 ↓
Mid Mid (pH 6-8) 1.72 9.06 -46.79 1 6 1 72 465.393 6 ↓
Mid Mid (pH 6-8) 2.75 8.79 -45.95 2 6 1 75 465.393 5 ↓

Activity (Go SEA)

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