UCSF

ZINC67560798

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 24 Yes

Popular Name: 3-[[(3,5-dimethylisoxazol-4-yl)methyl-methyl-amino]methyl]-6-methoxy-quinolin-2-ol 3-[[(3,5-dimethylisoxazol-4-yl)m…

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) 1.18 6.4 -49.64 2 6 1 73 328.392 5 ↓
Mid Mid (pH 6-8) 1.18 4.08 -14.12 1 6 0 71 327.384 5 ↓

Activity (Go SEA)

Rings

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

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