UCSF

ZINC65502403

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 22 No

Popular Name: (8S)-2-amino-8-(4-methoxy-2,5-dimethyl-phenyl)-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8S)-2-amino-8-(4-methoxy-2,5-di…

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) 2.34 3.94 -10.14 3 5 0 77 317.414 2 ↓
Lo Low (pH 4.5-6) 2.34 4.36 -39.64 4 5 1 78 318.422 2 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.