UCSF

ZINC09044153

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 34 No

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

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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) 2.73 8.39 -60.42 0 8 -1 90 479.944 6 ↓
Mid Mid (pH 6-8) 2.15 11.05 -89.45 2 8 2 87 482.968 6 ↓
Mid Mid (pH 6-8) 3.18 11.11 -91.76 3 8 2 90 482.968 5 ↓
Mid Mid (pH 6-8) 2.15 10.62 -56.77 1 8 1 85 481.96 6 ↓
Mid Mid (pH 6-8) 3.18 10.7 -46.6 2 8 1 89 481.96 5 ↓
Mid Mid (pH 6-8) 2.73 10.72 -73.13 1 8 0 91 480.952 6 ↓

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