UCSF

ZINC54681172

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 25 Yes

Popular Name: (4S)-4-(6-bromo-2H-chromen-3-yl)-3,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (4S)-4-(6-bromo-2H-chromen-3-yl)…

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) 3.60 9.53 -18.66 3 6 0 77 396.248 1 ↓
Mid Mid (pH 6-8) 3.60 10.04 -41.07 4 6 1 79 397.256 1 ↓

Activity (Go SEA)

Rings

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

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