UCSF

ZINC23093796

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 13 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) 0.95 2.93 -42.23 3 2 1 31 179.287 5
Hi High (pH 8-9.5) 0.95 4.86 -35.78 3 2 1 30 179.287 5
Mid Mid (pH 6-8) 0.95 5.26 -116.43 4 2 2 32 180.295 5

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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