UCSF

ZINC13523005

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 21 No

Popular Name: N-benzyl-4-diethylamino-benzenecarboximidothioic N-benzyl-4-diethylamino-benzenec…

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) 4.41 10.57 -10.67 1 2 0 17 298.455 6 ↓
Ref Reference (pH 7) 4.36 10.85 -10.19 1 2 0 15 298.455 7 ↓
Mid Mid (pH 6-8) 4.41 10.9 -38.75 2 2 0 18 299.463 6 ↓
Mid Mid (pH 6-8) 4.36 10.93 -40.93 2 2 0 16 299.463 7 ↓
Mid Mid (pH 6-8) 4.41 10.63 -41.07 2 2 0 18 299.463 6 ↓

Activity (Go SEA)

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