UCSF

ZINC40395767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 26 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) 3.62 -1.79 -11.92 3 10 0 149 354.374 8
Mid Mid (pH 6-8) 3.62 -0.97 -45.87 2 10 -1 152 353.366 8

Activity (Go SEA)

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