UCSF

ZINC71812478

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2012 23 Yes

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) 3.94 8.22 -10.15 1 5 0 53 323.481 5

Activity (Go SEA)

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