UCSF

ZINC42013543

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 20 No

Popular Name: 3-(5-phenyl-1H-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine 3-(5-phenyl-1H-1,2,4-triazol-3-y…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.74 7.93 -11.48 2 4 0 65 282.372 2 ↓
Hi High (pH 8-9.5) 2.74 7.47 -16.81 1 4 0 64 281.364 2 ↓
Mid Mid (pH 6-8) 3.48 7.79 -9.24 3 4 0 68 282.372 2 ↓

Activity (Go SEA)

Rings

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

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