UCSF

ZINC05231824

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 26 Yes

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) 3.72 7.82 -14.06 3 5 0 70 347.418 4
Mid Mid (pH 6-8) 3.86 -3.91 -14.25 2 5 0 70 347.418 4

Activity (Go SEA)

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