UCSF

ZINC22170926

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 27 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) 5.05 9.55 -38.45 0 6 -1 83 441.286 2
Lo Low (pH 4.5-6) 5.05 9.97 -22.31 1 6 0 81 442.294 2

Activity (Go SEA)

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