UCSF

ZINC19359869

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 30 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) 2.15 7.09 -84.34 2 6 0 80 405.498 6
Lo Low (pH 4.5-6) 2.15 6.27 -51.86 3 6 1 77 406.506 6

Activity (Go SEA)

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