UCSF

ZINC05483736

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 25 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) 2.42 5.65 -59.78 1 5 -1 81 356.785 5
Mid Mid (pH 6-8) 2.87 -2.22 -14.37 2 5 0 77 357.793 4
Mid Mid (pH 6-8) 1.84 -2.18 -18.78 1 5 0 74 357.793 5

Activity (Go SEA)

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