UCSF

ZINC18996437

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2008 26 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) 6.37 8.65 -10.23 2 4 0 65 380.856 2
Hi High (pH 8-9.5) 6.37 9.42 -41.63 1 4 -1 68 379.848 2
Hi High (pH 8-9.5) 5.88 9.03 -111.46 0 4 -2 67 378.84 3

Activity (Go SEA)

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