UCSF

ZINC67834478

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2011 26 Yes

Popular Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-chloro-3-methyl-1H-pyrazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4, 3-(1,3-benzodioxol-5-yl)-5-[(4-c…

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) 2.74 6.4 -48.48 3 7 1 80 372.836 3 ↓
Mid Mid (pH 6-8) 2.74 4.2 -10.64 2 7 0 79 371.828 3 ↓

Activity (Go SEA)

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