UCSF

ZINC09042704

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 35 No

Popular Name: 5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-4-[(5,8-dimethyl-1,7-diazabicyclo[4.3.0]nona-2,4,6, 5-(3,4-dimethoxyphenyl)-1-(2-dim…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.28 10.36 -76.07 1 9 0 101 478.549 8 ↓
Hi High (pH 8-9.5) 2.28 7.82 -62.36 0 9 -1 99 477.541 8 ↓
Mid Mid (pH 6-8) 2.73 10.35 -47.29 2 9 1 98 479.557 7 ↓
Mid Mid (pH 6-8) 2.73 10.77 -95.92 3 9 2 99 480.565 7 ↓
Lo Low (pH 4.5-6) 2.28 10.77 -90.57 2 9 1 102 479.557 8 ↓

Activity (Go SEA)

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