UCSF

ZINC44460298

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2010 25 Yes

CAS Number: 22832-87-7

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) 5.72 14.32 -40.08 1 3 1 28 417.143 6
Mid Mid (pH 6-8) 5.72 13.14 -7.12 0 3 0 27 416.135 6

Vendor Notes

Note Type Comments Provided By
Purity 98% APIChem

Activity (Go SEA)

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

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