UCSF

ZINC58434851

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 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) 3.48 8.77 -41.36 2 5 1 60 327.832 8
Mid Mid (pH 6-8) 3.48 7.03 -12.39 1 5 0 59 326.824 8

Activity (Go SEA)

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