UCSF

ZINC06812773

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 27 No

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

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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) 1.68 8.27 -76.7 1 6 0 78 405.545 7 ↓
Mid Mid (pH 6-8) 2.13 -0.77 -45.64 2 6 1 74 406.553 6 ↓
Mid Mid (pH 6-8) 1.10 -1.76 -46.95 1 6 1 71 406.553 7 ↓

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