UCSF

ZINC62033321

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 21 No

Popular Name: 4-isopropyl-5-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]-1,2,4-triazole-3-thiol 4-isopropyl-5-[4-(pyrrolidin-1-y…

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) 1.81 11.74 -48.98 2 5 1 41 310.491 4 ↓
Mid Mid (pH 6-8) 2.54 12.05 -68.58 1 5 0 38 309.483 4 ↓

Activity (Go SEA)

Rings

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

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