UCSF

ZINC22936030

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 10 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) 1.02 2.85 -33.68 2 2 1 20 143.254 2
Hi High (pH 8-9.5) 1.02 3.46 -27.2 2 2 1 16 143.254 2
Mid Mid (pH 6-8) 1.02 4.41 -101.99 3 2 2 21 144.262 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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