UCSF

ZINC67742569

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: 12-methyl-3-(2-quinolylmethyl)-3,8,12-triazaspiro[5.6]dodecan-7-one 12-methyl-3-(2-quinolylmethyl)-3…

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) 1.54 6.19 -42.65 2 5 1 50 339.463 2 ↓
Hi High (pH 8-9.5) 1.54 3.87 -15 1 5 0 48 338.455 2 ↓
Mid Mid (pH 6-8) 1.54 5.55 -44.76 2 5 1 50 339.463 2 ↓

Activity (Go SEA)

Rings

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

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