UCSF

ZINC61327103

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 19 Yes

Popular Name: 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-4,5-dihydro-1H-thieno[3,2-e]benzimidazole 2-[(2S,4S)-4-methoxypyrrolidin-2…

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) 1.84 3.94 -27.51 3 4 1 51 276.385 2 ↓
Hi High (pH 8-9.5) 1.84 3.6 -8.32 2 4 0 50 275.377 2 ↓
Lo Low (pH 4.5-6) 1.84 5.33 -109.2 4 4 2 56 277.393 2 ↓

Activity (Go SEA)

Rings

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

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