UCSF

ZINC09067144

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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) 2.54 10.29 -74.19 1 8 0 91 448.523 8 ↓
Mid Mid (pH 6-8) 1.95 11.11 -82.59 2 8 2 87 450.539 8 ↓
Mid Mid (pH 6-8) 2.98 10.12 -48.16 2 8 1 89 449.531 7 ↓
Mid Mid (pH 6-8) 2.98 10.64 -84.75 3 8 2 90 450.539 7 ↓
Mid Mid (pH 6-8) 1.95 10.68 -54.16 1 8 1 85 449.531 8 ↓

Activity (Go SEA)

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