UCSF

ZINC21986296

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 22 No

CAS Number: 58-18-4

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 7.65 -8.36 1 2 0 37 302.458 0

Vendor Notes

Note Type Comments Provided By
Purity BP98,USP24 APIChem

Activity (Go SEA)

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

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