UCSF

ZINC06620975

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 6.2 -21.18 4 7 0 101 416.505 6 ↓
Mid Mid (pH 6-8) 4.17 5.76 -10.11 2 7 0 96 415.497 6 ↓
Mid Mid (pH 6-8) 3.81 6.84 -20.83 4 7 0 101 416.505 6 ↓
Mid Mid (pH 6-8) 3.81 6.76 -9.39 3 7 0 100 415.497 6 ↓
Mid Mid (pH 6-8) 3.81 6.11 -9.37 3 7 0 100 415.497 6 ↓

Activity (Go SEA)

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