UCSF

ZINC09270814

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[(5,8-dimethyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-hydroxy 1-(3-dimethylaminopropyl)-4-[(5,…

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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) 2.86 12.12 -74.21 1 10 0 128 477.521 8 ↓
Mid Mid (pH 6-8) 3.31 12.75 -48.1 2 10 1 125 478.529 7 ↓
Mid Mid (pH 6-8) 2.28 1.38 -58.42 1 10 1 122 478.529 8 ↓
Mid Mid (pH 6-8) 2.28 1.58 -90.15 2 10 2 123 479.537 8 ↓
Mid Mid (pH 6-8) 3.31 13.17 -95.75 3 10 2 126 479.537 7 ↓

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