UCSF

ZINC09070886

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 33 No

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

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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) 2.56 10.08 -76.27 1 8 0 91 448.523 8 ↓
Mid Mid (pH 6-8) 1.98 11.58 -85.4 2 8 2 87 450.539 8 ↓
Mid Mid (pH 6-8) 1.98 11.15 -55.6 1 8 1 85 449.531 8 ↓
Mid Mid (pH 6-8) 3.01 11.61 -95.49 3 8 2 90 450.539 7 ↓
Mid Mid (pH 6-8) 3.01 11.18 -46.28 2 8 1 89 449.531 7 ↓

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