UCSF

ZINC04901565

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 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) 1.92 2.83 -58.06 2 6 -1 99 338.339 4
Mid Mid (pH 6-8) 2.37 -4.06 -28.28 3 6 0 95 339.347 3
Mid Mid (pH 6-8) 1.34 -3.77 -22.64 2 6 0 92 339.347 4

Activity (Go SEA)

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