UCSF

ZINC08467794

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2006 29 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-pyridyl)pyrrolidine-2,3-di 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) 2.21 10.82 -79.43 1 6 0 78 393.487 7 ↓
Mid Mid (pH 6-8) 1.63 1.09 -49.25 1 6 1 71 394.495 7 ↓
Lo Low (pH 4.5-6) 2.66 1.58 -110.36 3 6 2 76 395.503 6 ↓
Lo Low (pH 4.5-6) 1.63 1.21 -99.86 2 6 2 73 395.503 7 ↓

Activity (Go SEA)

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