UCSF

ZINC05445755

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 28 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) 2.67 7.89 -60.66 0 6 -1 79 378.404 7
Mid Mid (pH 6-8) 3.12 1.04 -18.7 1 6 0 76 379.412 6

Activity (Go SEA)

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