UCSF

ZINC16713794

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 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) 4.87 11.7 -38.7 0 6 -1 79 470.973 10
Mid Mid (pH 6-8) 5.31 10.4 -26.13 1 6 0 76 471.981 9
Mid Mid (pH 6-8) 4.28 11.66 -18.91 0 6 0 73 471.981 10

Activity (Go SEA)

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