UCSF

ZINC53380850

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 Yes

Popular Name: N'-(2-furylmethyl)-N-methyl-N-[(5-methyl-2-furyl)methyl]ethane-1,2-diamine N'-(2-furylmethyl)-N-methyl-N-[(…

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) 1.66 4.92 -43.17 2 4 1 46 249.334 7 ↓
Hi High (pH 8-9.5) 1.66 5.88 -38.27 2 4 1 43 249.334 7 ↓
Mid Mid (pH 6-8) 1.66 7.25 -120 3 4 2 47 250.342 7 ↓

Activity (Go SEA)

Rings

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

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