UCSF

ZINC43328133

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 29 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) 8.80 16.46 -45.83 0 3 -1 57 397.579 15
Lo Low (pH 4.5-6) 8.80 15.64 -5.95 1 3 0 54 398.587 15

Activity (Go SEA)

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