UCSF

ZINC28920836

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 27 Yes

Popular Name: (2S)-2-[(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)methyl]pentanedinitrile (2S)-2-[(3-oxo-5,6-diphenyl-1,2,…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.64 9.03 -25.18 0 6 0 95 355.401 6 ↓

Activity (Go SEA)

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