UCSF

ZINC07448247

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 18 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) 0.42 4.13 -12.9 0 5 0 65 239.234 2
Lo Low (pH 4.5-6) 0.42 4.41 -34.23 1 5 1 66 240.242 2

Activity (Go SEA)

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