UCSF

ZINC25686272

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 28 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) 4.12 11.76 -31.99 1 7 1 71 400.89 4
Mid Mid (pH 6-8) 4.12 11.32 -12.09 0 7 0 70 399.882 4

Activity (Go SEA)

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