UCSF

ZINC09046506

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 35 No

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

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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) 2.11 6.56 -62.26 0 9 -1 99 475.525 7 ↓
Mid Mid (pH 6-8) 1.53 9.74 -87.14 2 9 2 96 478.549 7 ↓
Mid Mid (pH 6-8) 2.56 9.88 -90.26 3 9 2 99 478.549 6 ↓
Mid Mid (pH 6-8) 1.53 9.32 -55.86 1 9 1 95 477.541 7 ↓
Mid Mid (pH 6-8) 2.56 9.45 -46.28 2 9 1 98 477.541 6 ↓
Mid Mid (pH 6-8) 2.11 8.91 -70.8 1 9 0 101 476.533 7 ↓

Activity (Go SEA)

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