UCSF

ZINC30714989

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 15 No

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) 3.05 3.21 -11.11 2 3 0 49 292.56 2
Hi High (pH 8-9.5) 3.05 3.99 -36.5 1 3 -1 52 291.552 2

Vendor Notes

Note Type Comments Provided By
MP 172° Matrix Scientific
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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