UCSF

ZINC25385771

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 4.65 9.07 -13.85 1 4 0 45 411.596 7
Mid Mid (pH 6-8) 4.65 11.41 -56.84 2 4 1 46 412.604 7

Activity (Go SEA)

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