UCSF

ZINC66166986

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 42 No

Popular Name: [[(4S)-4-[(6-methoxy-8-quinolyl)amino]pentyl]amino]methyl [[(4S)-4-[(6-methoxy-8-quinolyl)…

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) 5.69 8.27 -47.59 5 10 1 123 575.734 17 ↓
Mid Mid (pH 6-8) 5.69 6.28 -16.58 4 10 0 119 574.726 17 ↓

Activity (Go SEA)

Rings

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

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