UCSF

ZINC29134592

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 39 Yes

Popular Name: 2-[[6-[[2-(2-hydroxyethyl)anilino]methyl]-2-(3-morpholinopropylamino)benzimidazol-1-yl]methyl]-6-met 2-[[6-[[2-(2-hydroxyethyl)anilin…

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) 3.15 8.8 -51.16 5 9 1 113 531.681 12 ↓
Hi High (pH 8-9.5) 3.15 7.43 -15.38 4 9 0 108 530.673 12 ↓
Hi High (pH 8-9.5) 3.15 7.8 -45.79 3 9 -1 111 529.665 12 ↓
Hi High (pH 8-9.5) 3.15 8.4 -33.39 4 9 0 112 530.673 12 ↓
Mid Mid (pH 6-8) 3.15 7.65 -32.78 5 9 1 109 531.681 12 ↓
Mid Mid (pH 6-8) 3.15 11.07 -124.88 6 9 2 114 532.689 12 ↓
Mid Mid (pH 6-8) 3.15 9.93 -94.66 6 9 2 110 532.689 12 ↓
Mid Mid (pH 6-8) 3.15 10.56 -89.65 5 9 1 113 531.681 12 ↓
Lo Low (pH 4.5-6) 3.15 10.37 -193.31 7 9 3 111 533.697 12 ↓
Lo Low (pH 4.5-6) 3.15 8.04 -96.54 6 9 2 110 532.689 12 ↓

Activity (Go SEA)

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