UCSF

ZINC02510231

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

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) 1.92 3.71 -42.99 3 1 1 28 136.218 1

Vendor Notes

Note Type Comments Provided By
BP 101-103°/15mm Matrix Scientific
Purity 98% Matrix Scientific
Warnings AIR SENSITIVE, CORROSIVE Matrix Scientific
Warnings Corrosive/Air Sensitive Matrix Scientific

Activity (Go SEA)

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

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