UCSF

ZINC70089769

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 18 No

Popular Name: 4-(3-methyl-2-thienyl)-3-(2-pyridyl)thiophen-2-amine 4-(3-methyl-2-thienyl)-3-(2-pyri…

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) 2.67 6.44 -9.28 1 2 0 37 272.398 2 ↓
Mid Mid (pH 6-8) 3.67 6.87 -8 2 2 0 39 272.398 2 ↓

Activity (Go SEA)

Rings

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

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