UCSF

ZINC60219046

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 14 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) 1.45 6.27 -125.29 0 4 -2 80 198.218 2
Mid Mid (pH 6-8) 1.45 4.26 -45.05 1 4 -1 77 199.226 2

Activity (Go SEA)

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