UCSF

ZINC38600699

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 19 Yes

Other Names:

Cyclexanone (INN

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) 1.74 5.69 -7.08 0 3 0 30 263.381 4
Mid Mid (pH 6-8) 1.74 7.95 -41.22 1 3 1 31 264.389 4

Activity (Go SEA)

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