UCSF

ZINC22781185

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 29 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) 3.73 12.05 -38.81 1 5 1 37 412.558 5
Hi High (pH 8-9.5) 3.73 9.51 -5.95 0 5 0 35 411.55 5

Activity (Go SEA)

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