UCSF

ZINC19366961

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 30 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) 3.21 3.32 -11.15 2 6 0 65 414.546 10
Mid Mid (pH 6-8) 3.21 5.63 -45.28 3 6 1 67 415.554 10

Activity (Go SEA)

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