UCSF

ZINC59416012

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 30 No

Popular Name: 3-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]-6,6-dimethyl-1,4-dihydro-1,2,4-triazin-5-one 3-[(4,6-dianilino-1,3,5-triazin-…

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) 5.04 10.64 -47.01 3 9 -1 123 419.494 6 ↓
Mid Mid (pH 6-8) 4.85 12.6 -9.73 4 9 0 116 420.502 6 ↓

Activity (Go SEA)

Rings

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

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