UCSF

ZINC09123628

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 37 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) 2.13 10.06 -71.86 1 10 0 110 508.575 10 ↓
Mid Mid (pH 6-8) 1.55 10.88 -85.41 2 10 2 105 510.591 10 ↓
Mid Mid (pH 6-8) 2.58 10.46 -88.27 3 10 2 108 510.591 9 ↓
Mid Mid (pH 6-8) 1.55 10.45 -54.48 1 10 1 104 509.583 10 ↓
Mid Mid (pH 6-8) 2.58 10.18 -46.62 2 10 1 107 509.583 9 ↓

Activity (Go SEA)

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