UCSF

ZINC37326504

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 No

Popular Name: 3-(1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(1-ethylbenzimidazol-2-yl)-4,5…

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) 3.61 8.96 -10.1 1 3 0 42 297.427 2 ↓
Mid Mid (pH 6-8) 4.36 8.84 -9.98 2 3 0 44 297.427 2 ↓
Lo Low (pH 4.5-6) 4.36 9.29 -21.65 3 3 1 45 298.435 2 ↓

Activity (Go SEA)

Rings

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