UCSF

ZINC05045108

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 26 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) 1.96 6.76 -61.6 0 6 -1 83 358.345 6
Mid Mid (pH 6-8) 2.40 5.77 -30.27 1 6 0 80 359.353 5

Activity (Go SEA)

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