UCSF

ZINC06620982

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 31 No

Popular Name: 4-amino-2-(4-diethylaminophenyl)-9-(4-methoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6,9-triene- 4-amino-2-(4-diethylaminophenyl)…

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) 3.81 6.16 -50.6 4 7 0 101 416.505 6 ↓
Mid Mid (pH 6-8) 4.17 5.92 -12.05 2 7 0 96 415.497 6 ↓
Mid Mid (pH 6-8) 3.81 6.69 -9.46 3 7 0 100 415.497 6 ↓
Mid Mid (pH 6-8) 3.81 6.08 -9.46 3 7 0 100 415.497 6 ↓
Mid Mid (pH 6-8) 3.81 6.78 -20.64 4 7 0 101 416.505 6 ↓

Activity (Go SEA)

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