UCSF

ZINC05408752

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 24 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) 1.47 2.07 -63.1 2 6 -1 99 324.312 4
Mid Mid (pH 6-8) 1.92 -3.39 -20.37 3 6 0 95 325.32 3
Mid Mid (pH 6-8) 0.89 -3.97 -13.52 2 6 0 92 325.32 4

Activity (Go SEA)

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