UCSF

ZINC09275497

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 No

Popular Name: 1-(2-dimethylaminoethyl)-4-[(5,8-dimethyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-hydroxy- 1-(2-dimethylaminoethyl)-4-[(5,8…

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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) 2.67 10.13 -69.71 1 8 0 91 448.523 7 ↓
Hi High (pH 8-9.5) 2.67 7.59 -60.16 0 8 -1 90 447.515 7 ↓
Mid Mid (pH 6-8) 2.67 10.45 -83.85 3 8 2 90 450.539 7 ↓
Mid Mid (pH 6-8) 2.67 10.02 -49.33 2 8 1 89 449.531 7 ↓
Mid Mid (pH 6-8) 2.08 0.79 -53.97 1 8 1 85 449.531 7 ↓
Mid Mid (pH 6-8) 2.08 0.99 -82.69 2 8 2 86 450.539 7 ↓
Lo Low (pH 4.5-6) 2.67 10.54 -72.4 2 8 1 93 449.531 7 ↓

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