UCSF

ZINC16268933

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2008 31 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) 6.82 13.9 -57.54 1 6 -1 98 451.911 4
Mid Mid (pH 6-8) 6.33 13.36 -107 0 6 -2 97 450.903 5

Activity (Go SEA)

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