UCSF

ZINC16733669

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 4.24 10.87 -13.99 1 7 0 93 455.466 7
Mid Mid (pH 6-8) 3.66 11.58 -17.37 0 7 0 90 455.466 7

Activity (Go SEA)

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