UCSF

ZINC05511854

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 22 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) 3.75 6.33 -6.74 1 9 0 119 305.294 4
Mid Mid (pH 6-8) 3.75 8.77 -52.57 2 9 1 120 306.302 4

Activity (Go SEA)

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