UCSF

ZINC69498603

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 20 Yes

Popular Name: N-[(1R)-2-(2-methylthiazol-4-yl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine N-[(1R)-2-(2-methylthiazol-4-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) 2.29 7.82 -27.35 2 4 1 44 293.46 8 ↓
Hi High (pH 8-9.5) 2.29 7.62 -7.32 1 4 0 43 292.452 8 ↓
Mid Mid (pH 6-8) 2.29 8.44 -27.62 2 4 1 47 293.46 8 ↓
Mid Mid (pH 6-8) 2.29 9.06 -95 3 4 2 49 294.468 8 ↓

Activity (Go SEA)

Rings

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

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