UCSF

ZINC69876227

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 Yes

Popular Name: 6-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[(1-butyltetrazol-5-yl)meth…

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) 0.70 7.23 -18.67 0 10 0 93 342.411 6 ↓
Lo Low (pH 4.5-6) 0.70 9.36 -75.58 1 10 1 94 343.419 6 ↓

Activity (Go SEA)

Rings

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

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