UCSF

ZINC67563303

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 25 Yes

Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methano [6-(diethylaminomethyl)pyrazolo[…

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) 0.15 8.68 -96.42 2 7 2 59 346.479 6 ↓
Hi High (pH 8-9.5) 0.15 4.28 -16.44 0 7 0 57 344.463 6 ↓
Mid Mid (pH 6-8) 0.15 6.64 -49.52 1 7 1 58 345.471 6 ↓

Activity (Go SEA)

Rings

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

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