UCSF

ZINC20828568

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 31 No

Popular Name: 2-(1,3-benzothiazol-2-yl)-4-(C-ethyl-N-(2-morpholinoethyl)carbonimidoyl)-5-(trifluoromethyl)-1H-pyra 2-(1,3-benzothiazol-2-yl)-4-(C-e…

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) 4.27 3.63 -9.85 1 7 0 76 453.49 7 ↓
Mid Mid (pH 6-8) 4.27 5.93 -39.72 2 7 1 77 454.498 7 ↓
Mid Mid (pH 6-8) 4.27 3.66 -9.43 1 7 0 76 453.49 7 ↓
Mid Mid (pH 6-8) 3.81 5.64 -15.33 1 7 0 76 453.49 7 ↓
Mid Mid (pH 6-8) 3.81 5.53 -14.54 1 7 0 76 453.49 7 ↓
Mid Mid (pH 6-8) 4.27 7.52 -41.28 1 7 0 80 453.49 7 ↓
Mid Mid (pH 6-8) 4.27 5.19 -43.57 0 7 -1 79 452.482 7 ↓
Lo Low (pH 4.5-6) 3.81 7.93 -43.75 2 7 1 77 454.498 7 ↓
Lo Low (pH 4.5-6) 4.27 5.9 -43.16 2 7 1 77 454.498 7 ↓
Lo Low (pH 4.5-6) 3.81 7.79 -38.95 2 7 1 77 454.498 7 ↓

Activity (Go SEA)

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