UCSF

ZINC39119582

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) -0.39 0.05 -10.68 4 5 0 80 180.211 3
Mid Mid (pH 6-8) -0.39 0.52 -38.57 5 5 1 81 181.219 3

Activity (Go SEA)

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