UCSF

ZINC70466460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2011 26 Yes

CAS Numbers: 1080622-86-1 , [1080622-86-1]

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) 1.28 8.35 -14.26 2 9 0 114 349.354 4

Vendor Notes

Note Type Comments Provided By
Target ATM Selleck Chemicals

Activity (Go SEA)

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

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