UCSF

ZINC64548789

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 Yes

Popular Name: 2-[[5-[3-(2-diethylaminoethylsulfanyl)-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-diethyl- 2-[[5-[3-(2-diethylaminoethylsul…

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) 1.58 10.04 -79.61 2 8 2 86 424.644 13 ↓
Hi High (pH 8-9.5) 1.58 5.76 -5.08 0 8 0 84 422.628 13 ↓
Hi High (pH 8-9.5) 1.58 7.93 -38.94 1 8 1 85 423.636 13 ↓

Activity (Go SEA)

Rings

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

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