UCSF

ZINC67562214

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 24 Yes

Popular Name: (5S)-1-ethyl-5-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-1-ethyl-5-[2-(4-ethyl-1,2,4…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.81 9.57 -86.83 2 8 0 105 332.408 7 ↓
Hi High (pH 8-9.5) 0.81 8.39 -66.54 1 8 -1 101 331.4 7 ↓

Activity (Go SEA)

Rings

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

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