UCSF

ZINC12017526

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 22 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) 2.21 1.87 -37.25 0 6 -1 78 317.708 2
Ref Reference (pH 7) 2.21 2.67 -48.03 0 6 -1 78 317.708 2

Activity (Go SEA)

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