UCSF

ZINC67334906

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2011 30 Yes

Popular Name: 4-amino-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-propyl-isothiazole-3-carboxamide 4-amino-5-[4-(1,3-benzodioxol-5-…

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) 1.64 2.02 -11.43 3 9 0 110 431.518 6 ↓
Lo Low (pH 4.5-6) 1.64 4.22 -55.32 4 9 1 111 432.526 6 ↓

Activity (Go SEA)

Rings

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

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