UCSF

ZINC22198654

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 26 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) 2.90 9.66 -43.39 2 5 1 52 357.474 9
Hi High (pH 8-9.5) 2.90 8.32 -12.63 1 5 0 51 356.466 9

Activity (Go SEA)

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