UCSF

ZINC05322230

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 19 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) 1.74 5.5 -11.55 0 4 0 50 276.361 5
Lo Low (pH 4.5-6) 1.74 5.96 -38.72 1 4 1 52 277.369 5

Activity (Go SEA)

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