UCSF

ZINC09460949

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 39 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) 5.64 12.92 -62.79 0 7 -1 88 528.625 13
Mid Mid (pH 6-8) 6.09 11.83 -30.67 1 7 0 85 529.633 12

Activity (Go SEA)

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