UCSF

ZINC66065974

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 42 No

Popular Name: N4-[3-[(7-chloro-4-quinolyl)amino]phenyl]-N2-(3-morpholinopropyl)-N6-phenyl-1,3,5-triazine-2,4,6-tri N4-[3-[(7-chloro-4-quinolyl)amin…

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) 7.53 17.53 -38.48 5 10 1 113 583.12 11 ↓
Mid Mid (pH 6-8) 7.53 19.38 -50.29 5 10 1 113 583.12 11 ↓
Mid Mid (pH 6-8) 7.53 17.11 -12.41 4 10 0 112 582.112 11 ↓
Mid Mid (pH 6-8) 7.53 19.8 -83.48 6 10 2 115 584.128 11 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.