UCSF

ZINC33087548

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 32 Yes

Popular Name: 2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimeth 2-[[5-(3,4-dihydro-2H-1,5-benzod…

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) 4.64 11.73 -15.09 1 7 0 78 452.58 6 ↓

Activity (Go SEA)

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