UCSF

ZINC06812778

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 No

Popular Name: 1-(2-dimethylaminoethyl)-4-[(2,4-dimethylthiazol-5-yl)-hydroxy-methylene]-5-(3-fluorophenyl)-pyrroli 1-(2-dimethylaminoethyl)-4-[(2,4…

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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) 1.65 8.71 -71.23 1 6 0 78 403.479 6 ↓
Hi High (pH 8-9.5) 1.65 6.18 -54.08 0 6 -1 77 402.471 6 ↓
Mid Mid (pH 6-8) 2.10 0.77 -44.68 2 6 1 74 404.487 5 ↓

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