UCSF

ZINC66058814

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 29 Yes

Popular Name: (8R)-N-[[5-(aminomethyl)-1H-imidazol-4-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroq (8R)-N-[[5-(aminomethyl)-1H-imid…

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) 1.97 6.49 -49.35 5 7 1 101 388.499 6 ↓
Hi High (pH 8-9.5) 1.97 6.65 -12.69 4 7 0 100 387.491 6 ↓
Mid Mid (pH 6-8) 1.97 6.28 -96.64 6 7 2 102 389.507 6 ↓
Lo Low (pH 4.5-6) 1.97 7.3 -175.2 7 7 3 104 390.515 6 ↓
Lo Low (pH 4.5-6) 1.97 7 -297.57 8 7 4 105 391.523 6 ↓

Activity (Go SEA)

Rings

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

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