UCSF

ZINC16693926

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 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) 2.14 7.83 -27.41 1 8 0 121 346.73 3
Mid Mid (pH 6-8) 2.66 6.85 -34.33 0 8 -1 127 345.722 3

Activity (Go SEA)

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