UCSF

ZINC09042913

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 36 No

Popular Name: 4-[hydroxy-(8-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-methylene]-5-(4-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) 2.40 7.4 -61.11 0 9 -1 99 489.552 8 ↓
Mid Mid (pH 6-8) 1.82 10.61 -85.47 2 9 2 96 492.576 8 ↓
Mid Mid (pH 6-8) 2.85 9.97 -90.78 3 9 2 99 492.576 7 ↓
Mid Mid (pH 6-8) 1.82 10.18 -55.94 1 9 1 95 491.568 8 ↓
Mid Mid (pH 6-8) 2.85 9.56 -49.74 2 9 1 98 491.568 7 ↓
Mid Mid (pH 6-8) 2.40 9.73 -73.15 1 9 0 101 490.56 8 ↓

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