UCSF

ZINC48429681

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 19 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) 2.36 6.76 -55.29 1 5 -1 60 295.413 4
Mid Mid (pH 6-8) 1.64 6.61 -15.41 2 5 0 63 296.421 4

Activity (Go SEA)

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