UCSF

ZINC13298314

Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 2008 27 No

CAS Number: 18323-44-9

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) 2.06 1.58 -35.71 5 7 1 103 425.999 7

Vendor Notes

Note Type Comments Provided By
Purity BP98 APIChem

Activity (Go SEA)

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

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