UCSF

ZINC08987894

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 37 No

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

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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) 1.72 6.53 -60.85 0 10 -1 109 505.551 8 ↓
Mid Mid (pH 6-8) 2.17 9.48 -50.84 2 10 1 107 507.567 7 ↓
Mid Mid (pH 6-8) 2.17 9.74 -94.2 3 10 2 108 508.575 7 ↓
Mid Mid (pH 6-8) 1.72 8.88 -70.92 1 10 0 110 506.559 8 ↓

Activity (Go SEA)

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