UCSF

ZINC13125756

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 33 Yes

Popular Name: VX 680 VX 680

Find On: PubMed — Wikipedia — Google

CAS Numbers: 639089-54-6 , 899827-04-4 , [639089-54-6]

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) 3.69 11.72 -48.82 4 9 1 103 465.607 7 ↓
Hi High (pH 8-9.5) 3.69 9.04 -12.49 3 9 0 102 464.599 7 ↓
Mid Mid (pH 6-8) 3.69 9.35 -16.22 3 9 0 102 464.599 7 ↓
Mid Mid (pH 6-8) 3.17 10.28 -17.74 2 9 0 98 464.599 6 ↓

Vendor Notes

Note Type Comments Provided By
Target Aurora Kinase Selleck Chemicals

Activity (Go SEA)

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