UCSF

ZINC39564229

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 18 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) 0.61 2.96 -136.89 4 5 2 61 254.33 4
Hi High (pH 8-9.5) 0.61 0.3 -7.78 2 5 0 52 252.314 4
Hi High (pH 8-9.5) 0.61 1.61 -47.57 3 5 1 56 253.322 4
Hi High (pH 8-9.5) 0.61 1.66 -49.95 3 5 1 56 253.322 4

Vendor Notes

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

Activity (Go SEA)

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