UCSF

ZINC09422580

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 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) 3.87 7.77 -12.12 0 6 0 65 479.33 4
Lo Low (pH 4.5-6) 3.87 0.36 -120.86 2 6 2 67 481.346 4

Activity (Go SEA)

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