UCSF

ZINC09333729

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 34 No

Popular Name: 5-(4-chlorophenyl)-4-[hydroxy-(8-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-methylene] 5-(4-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) 2.76 7.81 -57.84 0 8 -1 90 479.944 6 ↓
Mid Mid (pH 6-8) 3.20 9.85 -47.49 2 8 1 89 481.96 5 ↓
Mid Mid (pH 6-8) 3.20 10.27 -93.46 3 8 2 90 482.968 5 ↓
Mid Mid (pH 6-8) 2.17 -1.7 -55.46 1 8 1 85 481.96 6 ↓
Mid Mid (pH 6-8) 2.17 -1.53 -87.84 2 8 2 86 482.968 6 ↓
Mid Mid (pH 6-8) 2.76 10.14 -68.23 1 8 0 91 480.952 6 ↓

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