UCSF

ZINC67741094

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 27 Yes

Popular Name: 3-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)chromen-2-one 3-(3,7-dimethyl-3,7,11-triazaspi…

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) 1.56 8.46 -62.01 1 6 1 58 370.473 1 ↓
Lo Low (pH 4.5-6) 1.56 10.7 -116.04 2 6 2 59 371.481 1 ↓

Activity (Go SEA)

Rings

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