UCSF

ZINC00664023

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 Yes

Popular Name: 3-amino-N-(2-methylphenyl)-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide 3-amino-N-(2-methylphenyl)-4-(tr…

Find On: PubMed — Wikipedia — Google

CAS Number: 626228-79-3

Other Names:

MFCD03784570

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) 6.17 -0.59 -7.42 3 4 0 68 433.499 3 ↓
Lo Low (pH 4.5-6) 6.17 -0.54 -35.49 4 4 1 69 434.507 3 ↓

Activity (Go SEA)

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