UCSF

ZINC50063391

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 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) 2.55 6.93 -8.94 0 5 0 56 259.346 11
Mid Mid (pH 6-8) 2.55 8.67 -39.34 1 5 1 57 260.354 11

Activity (Go SEA)

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