UCSF

ZINC09282165

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 37 No

Popular Name: 4-[(2,8-dimethyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-yl)carbonyl]-5-(4-ethoxyphenyl)-3-hyd 4-[(2,8-dimethyl-6,9-diazabicycl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.91 10.3 -55.79 2 9 1 98 505.595 8 ↓
Mid Mid (pH 6-8) 2.33 11 -65.99 1 9 1 95 505.595 8 ↓
Mid Mid (pH 6-8) 2.91 10.73 -98.67 3 9 2 99 506.603 8 ↓
Mid Mid (pH 6-8) 2.33 11.43 -113.24 2 9 2 96 506.603 8 ↓

Activity (Go SEA)

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