UCSF

ZINC22459713

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 25 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) 4.77 12.19 -34.55 1 2 1 8 339.547 3
Hi High (pH 8-9.5) 4.77 9.91 -1.67 0 2 0 6 338.539 3
Hi High (pH 8-9.5) 4.77 12.18 -37.54 1 2 1 8 339.547 3

Activity (Go SEA)

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