UCSF

ZINC06427863

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 31 No

Popular Name: 1-(2-dimethylaminoethyl)-3-hydroxy-4-[(8-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-yl)car 1-(2-dimethylaminoethyl)-3-hydro…

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Vendors

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) 2.68 10.66 -51.24 2 7 1 79 419.505 6 ↓
Mid Mid (pH 6-8) 2.10 11.36 -60.48 1 7 1 76 419.505 6 ↓
Mid Mid (pH 6-8) 3.13 10.78 -109.05 3 7 2 81 420.513 5 ↓
Mid Mid (pH 6-8) 2.10 11.77 -106.04 2 7 2 77 420.513 6 ↓

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