UCSF

ZINC09192888

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 37 No

Popular Name: 1-(3-diethylaminopropyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-[(8-methyl-6,9-diazabicyclo[4.3.0]nona- 1-(3-diethylaminopropyl)-5-(3,4-…

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Vendors

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) 2.90 11.04 -54.44 2 9 1 98 507.611 11 ↓
Mid Mid (pH 6-8) 3.35 11.18 -113.81 3 9 2 99 508.619 10 ↓
Mid Mid (pH 6-8) 2.32 1.5 -63.73 1 9 1 94 507.611 11 ↓
Mid Mid (pH 6-8) 2.32 1.67 -111.2 2 9 2 95 508.619 11 ↓

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