UCSF

ZINC36122906

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 Yes

Popular Name: (1S,4R,7R,8S)-7-[(4-chloro-2-fluoro-phenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-8-carboxylic (1S,4R,7R,8S)-7-[(4-chloro-2-flu…

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) 2.43 8.81 -49.11 1 4 -1 69 322.743 3 ↓
Lo Low (pH 4.5-6) 2.43 6.82 -11.2 2 4 0 66 323.751 3 ↓

Activity (Go SEA)

Rings

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