UCSF

ZINC09304176

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 29 No

Popular Name: 2-bromo-N-[1-[5-(4,5-dihydrothiazol-2-ylcarbamoylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]ethyl]be 2-bromo-N-[1-[5-(4,5-dihydrothia…

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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) 2.17 7.13 -17.95 2 8 0 101 497.444 7 ↓
Mid Mid (pH 6-8) 2.17 8.26 -40.94 3 8 1 103 498.452 7 ↓
Mid Mid (pH 6-8) 2.24 5.59 -23.16 2 8 0 105 497.444 7 ↓
Mid Mid (pH 6-8) 2.17 7.44 -17.45 2 8 0 101 497.444 7 ↓

Activity (Go SEA)

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