UCSF

ZINC16125516

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 13 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) 1.27 4.69 -29.93 0 2 -1 40 183.133 2
Ref Reference (pH 7) 1.27 4.67 -30.97 0 2 -1 40 183.133 2
Mid Mid (pH 6-8) 2.28 3.75 -18.02 0 2 0 34 184.141 3

Vendor Notes

Note Type Comments Provided By
MP 128-130° Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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