UCSF

ZINC42807723

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 1.05 0.2 -9.08 3 5 0 81 298.286 6
Mid Mid (pH 6-8) 1.05 0.24 -38.98 2 5 -1 83 297.278 6

Activity (Go SEA)

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