UCSF

ZINC25782042

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 28 Yes

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) 4.46 7.99 -18.33 2 5 0 75 414.914 6
Mid Mid (pH 6-8) 4.46 8.06 -52.23 1 5 -1 77 413.906 6

Activity (Go SEA)

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