UCSF

ZINC06812774

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Substance Information

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

Popular Name: 1-(3-dimethylaminopropyl)-4-[(2,4-dimethylthiazol-5-yl)-hydroxy-methylene]-5-(4-pyridyl)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) 0.50 7.73 -76.24 1 7 0 91 400.504 7 ↓
Mid Mid (pH 6-8) 0.94 -0.43 -47.17 2 7 1 87 401.512 6 ↓
Mid Mid (pH 6-8) -0.09 -1.18 -51.04 1 7 1 84 401.512 7 ↓
Lo Low (pH 4.5-6) 0.94 -0.6 -113.59 3 7 2 89 402.52 6 ↓
Lo Low (pH 4.5-6) 0.94 -0.31 -97.06 3 7 2 89 402.52 6 ↓
Lo Low (pH 4.5-6) -0.09 -1.07 -102.15 2 7 2 85 402.52 7 ↓

Activity (Go SEA)

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