UCSF

ZINC24820645

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 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) 3.98 8.32 -18.65 0 7 0 72 426.904 6
Mid Mid (pH 6-8) 3.98 10.54 -60.87 1 7 1 73 427.912 6

Activity (Go SEA)

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