UCSF

ZINC69930482

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 27 Yes

Popular Name: [4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-1,4-diazepan-1-yl]-(2-chlorophenyl)methano [4-[[4-amino-6-(dimethylamino)-1…

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) 1.33 10.44 -15.53 2 8 0 91 389.891 4 ↓
Mid Mid (pH 6-8) 1.33 12.23 -41.33 3 8 1 93 390.899 4 ↓
Lo Low (pH 4.5-6) 1.33 10.76 -35.45 3 8 1 93 390.899 4 ↓
Lo Low (pH 4.5-6) 1.33 10.88 -36.38 3 8 1 93 390.899 4 ↓

Activity (Go SEA)

Rings

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

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