UCSF

ZINC28090019

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 42 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) -0.74 -1.45 -51.61 10 14 1 234 585.638 17
Mid Mid (pH 6-8) -0.74 -1.77 -22.62 9 14 0 232 584.63 17

Activity (Go SEA)

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