UCSF

ZINC42807031

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 31 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) 5.55 11.65 -167.98 8 5 3 89 441.769 20
Mid Mid (pH 6-8) 5.55 11.32 -94.78 7 5 2 87 440.761 20

Activity (Go SEA)

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