UCSF

ZINC67433440

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 26 Yes

Popular Name: (3,7-dimethyl-3,7,10-triazaspiro[5.5]undecan-10-yl)-(3-pyrazol-1-ylphenyl)methanone (3,7-dimethyl-3,7,10-triazaspiro…

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) 1.20 8.9 -43.67 1 6 1 46 354.478 2 ↓
Lo Low (pH 4.5-6) 1.20 9.99 -106.43 2 6 2 47 355.486 2 ↓

Activity (Go SEA)

Rings

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