UCSF

ZINC02584257

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 9 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) 2.52 3.99 -2.31 0 0 0 0 146.058 2

Vendor Notes

Note Type Comments Provided By
BP 3-6° Matrix Scientific
Purity 97% Matrix Scientific
Warnings Flammable Gas Matrix Scientific
Warnings GAS, FLAMMABLE Matrix Scientific

Activity (Go SEA)

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

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