UCSF

ZINC08979788

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 28 Yes

Popular Name: 7-(4-methylbenzoyl)amino-N-(4-pyridylmethyl)-6-thia-8-azabicyclo[3.3.0]octa-7,9-diene-2-carboxamide 7-(4-methylbenzoyl)amino-N-(4-py…

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) 2.31 -3.42 -13.06 2 6 0 83 392.484 5 ↓
Lo Low (pH 4.5-6) 2.31 -3.31 -47.21 3 6 1 85 393.492 5 ↓

Activity (Go SEA)

Rings

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