UCSF

ZINC19437711

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 Yes

Popular Name: 3-(4-thiazol-2-ylpiperazin-1-yl)propanamidine 3-(4-thiazol-2-ylpiperazin-1-yl)…

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) 0.35 1.32 -39.05 4 5 1 71 240.356 4 ↓
Mid Mid (pH 6-8) -0.60 2.42 -118.85 6 5 2 74 241.364 3 ↓
Lo Low (pH 4.5-6) 0.35 3.97 -176.49 6 5 3 73 242.372 4 ↓
Lo Low (pH 4.5-6) 0.35 1.76 -73.56 5 5 2 72 241.364 4 ↓

Activity (Go SEA)

Rings

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

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