UCSF

ZINC43396802

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.82 6.45 -12.66 2 4 0 51 279.409 4
Mid Mid (pH 6-8) 1.82 6.87 -37.05 3 4 1 53 280.417 4

Activity (Go SEA)

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