UCSF

ZINC09008205

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 33 No

Popular Name: 4-[(2,4-dimethylthiazol-5-yl)-hydroxy-methylene]-1-(2-morpholinoethyl)-5-(3-nitrophenyl)-pyrrolidine 4-[(2,4-dimethylthiazol-5-yl)-hy…

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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) 1.29 6.22 -52.82 0 10 -1 132 471.515 7 ↓
Mid Mid (pH 6-8) 0.71 9.04 -60.09 1 10 1 127 473.531 7 ↓
Mid Mid (pH 6-8) 1.74 9.07 -53.04 2 10 1 130 473.531 6 ↓
Mid Mid (pH 6-8) 1.29 8.62 -69.16 1 10 0 133 472.523 7 ↓

Activity (Go SEA)

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